Title stringlengths 2 865 ⌀ | IUPAC stringlengths 3 2.48k ⌀ | InChI stringlengths 10 3.59k ⌀ | InChI_key stringlengths 27 27 ⌀ | SMILES stringlengths 1 1.45k ⌀ | Date stringdate 2004-09-16 00:00:00 2025-01-24 00:00:00 ⌀ | Synonym stringlengths 4 256k ⌀ | MeSH stringlengths 3 228 | __index_level_0__ int64 1 173M |
|---|---|---|---|---|---|---|---|---|
Allantoic acid | 2,2-bis(carbamoylamino)acetic acid | InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12) | NUCLJNSWZCHRKL-UHFFFAOYSA-N | C(C(=O)O)(NC(=O)N)NC(=O)N | 2004-09-16 | Allantoic acid|99-16-1|Diureidoacetic acid|Acetic acid, bis[(aminocarbonyl)amino]-|2,2-bis(carbamoylamino)acetic acid|Allantoicacid|2,2-diureidoacetic acid|02WGT7SHWJ|Diureidoacetic acid|Bis((aminocarbonyl)amino)acetic acid|Bis[(aminocarbonyl)amino]acetic acid|EINECS 202-735-4|UNII-02WGT7SHWJ|102185-22-8|bis(carbamoyl... | allantoic acid | 203 |
Allantoin | (2,5-dioxoimidazolidin-4-yl)urea | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) | POJWUDADGALRAB-UHFFFAOYSA-N | C1(C(=O)NC(=O)N1)NC(=O)N | 2004-09-16 | allantoin|97-59-6|5-Ureidohydantoin|Glyoxyldiureide|1-(2,5-dioxoimidazolidin-4-yl)urea|Cordianine|Glyoxyldiureid|Allantol|Alantan|Sebical|AVC/Dienestrolcream|Urea, (2,5-dioxo-4-imidazolidinyl)-|Psoralon|Septalan|Hydantoin, 5-ureido-|Cutemol emollient|(2,5-Dioxo-4-imidazolidinyl)urea|Uniderm A|(2,5-dioxoimidazolidin-4-y... | Allantoin | 204 |
Hexose | 6-(hydroxymethyl)oxane-2,3,4,5-tetrol | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 | WQZGKKKJIJFFOK-UHFFFAOYSA-N | C(C1C(C(C(C(O1)O)O)O)O)O | 2005-03-25 | Hexose|Hexopyranose|hexopyranoside|6-(hydroxymethyl)oxane-2,3,4,5-tetrol|D-[4,6-13C2]glucose|42752-07-8|D-Mannose-6-13C|D-(+)-Mannose|D-Mannose-2-13C|b-d-glucose|D-[1-18O]glucose|D-Mannose-1-C-d|D-[2,5-13C2]glucose|D-[4,5-13C2]glucose|D-[1-13C]gulose|D-[2-13C]gulose|D-[3-13C]galactose|D-[1-13c,1-2h]glucose|ALPHA-D-GLUC... | Hexoses | 206 |
2-Amino-6-oxohexanoic acid | 2-amino-6-oxohexanoic acid | InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10) | GFXYTQPNNXGICT-UHFFFAOYSA-N | C(CC=O)CC(C(=O)O)N | 2004-09-16 | allysine|2-amino-6-oxohexanoic acid|1962-83-0|6-Oxo DL-Norleucine, Formate Salt|alpha-Aminoadipic delta-semialdehyde|alpha-Aminoadipic acid delta-semialdehyde|6-oxonorleucine|6-Oxo-DL-norleucine|CHEBI:17027|DTXSID00862802|HCO-[CH2]3-CH(NH2)-COOH|Allysine (not validated)|SCHEMBL79859|L-2-Amino-6-oxohexanoic acid|FO26647... | allysine | 207 |
Aminoacetone | 1-aminopropan-2-one | InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3 | BCDGQXUMWHRQCB-UHFFFAOYSA-N | CC(=O)CN | 2004-09-16 | 1-aminopropan-2-one|aminoacetone|298-08-8|1-Amino-2-propanone|1-Aminoacetone|2-Propanone, 1-amino-|alpha-Aminoacetone|ZB4ES38S4R|.ALPHA.-AMINOACETONE|1-AMINO-PROPAN-2-ONE|CHEBI:17906|DTXSID10183939|UNII-ZB4ES38S4R|1-aminopropanone|amino-2-propanone|MFCD00869738|2-Propanone, amino-|amino-(6CI)-2-propanone|2-Propanone, a... | 1-aminopropan-2-one | 215 |
2-Amino-3-oxobutanoic acid | 2-amino-3-oxobutanoic acid | InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8) | SAUCHDKDCUROAO-UHFFFAOYSA-N | CC(=O)C(C(=O)O)N | 2004-09-16 | 2-amino-3-oxobutanoic acid|6531-42-6|2-amino-3-ketobutyrate|Butanoic acid, 2-amino-3-oxo-|CHEBI:17844|2-amino-3-oxobutanoate|2-Akbt|2-amino-acetoacetate|2-amino-3-oxobutanoicacid|2-acetyl-amino-acetic acid|SCHEMBL188494|CHEMBL1160073|DTXSID70983937|SAUCHDKDCUROAO-UHFFFAOYSA-N|PD040704|CS-0312320|C03214|EN300-145187|Q27... | 2-amino-3-ketobutyrate | 219 |
Aminoparathion | 4-diethoxyphosphinothioyloxyaniline | InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3 | XIZOTXGJXSTQDI-UHFFFAOYSA-N | CCOP(=S)(OCC)OC1=CC=C(C=C1)N | 2005-03-27 | Aminoparathion|4-diethoxyphosphinothioyloxyaniline|3735-01-1|p-Aminoparathion|amino-parathion|O-(4-AMINOPHENYL) O,O-DIETHYL PHOSPHOROTHIOATE|E 605 reduced|4-aminoparathion|Phosphorothioic acid, O-(4-aminophenyl) O,O-diethyl ester|parathion amino|XW8MK6B4E6|O,O-Diethyl O-(4-aminophenyl) phosphorothioate|BRN 5543468|AI3-... | aminoparathion | 220 |
Ammonia | azane | InChI=1S/H3N/h1H3 | QGZKDVFQNNGYKY-UHFFFAOYSA-N | N | 2004-09-16 | ammonia|azane|7664-41-7|Ammonia gas|Nitro-sil|Ammonia anhydrous|Ammoniakgas|Ammonia, anhydrous|Ammoniak|AM-Fol|Anhydrous ammonia|Ammoniak Kconzentrierter|ammoniac|Aqueous ammonia|Liquid Ammonia|Caswell No. 041|Amoniak [Polish]|Ammoniac [French]|Ammoniak [German]|Refrigerent R717|amoniaco|Ammoniaca [Italian]|Ammoniaca|A... | Ammonia | 222 |
Ammonium | azanium | InChI=1S/H3N/h1H3/p+1 | QGZKDVFQNNGYKY-UHFFFAOYSA-O | [NH4+] | 2004-09-16 | ammonium|Ammonium ion|azanium|Ammonium cation|Ammonium(1+)|14798-03-9|NH4+|Ammonium (NH4+)|Ammonia ion|Ammonium ion(+)|nitrogen(1+)|Ammonium ion(1+)|AMMONIUM CATION WITH D|Ammonia ion (NH4+)|UNII-54S68520I4|Ammonium ion (NH4+)|NH4(+)|15194-15-7|54S68520I4|DTXSID5043974|CHEBI:28938|Ammonium Standard: NH4+ @ 100 microg/m... | Ammonium Compounds | 223 |
3beta-Androsterone | 3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3 | QGXBDMJGAMFCBF-UHFFFAOYSA-N | CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O | 2005-03-25 | 3-Epiandrosterone|3-Hydroxyandrostan-17-one|3.beta.-Androsterone|Androsterone, (3.beta.)-|epi-Androsterone|3.beta.-Hydroxyetioallocholan-17-one|3-alpha-hydroxy-5-beta-androstan-17-one|5.alpha.-Androstan-17-one, 3.beta.-hydroxy-|C19H30O2|NCIOpen2_002877|Androstan-17-one, 3-hydroxy-|CHEMBL4744187|SCHEMBL12968676|AAA57131... | Etiocholanolone | 225 |
Anthranilic acid | 2-aminobenzoic acid | InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) | RWZYAGGXGHYGMB-UHFFFAOYSA-N | C1=CC=C(C(=C1)C(=O)O)N | 2004-09-16 | anthranilic acid|2-aminobenzoic acid|118-92-3|o-aminobenzoic acid|o-Carboxyaniline|2-Carboxyaniline|vitamin L1|o-Anthranilic acid|Benzoic acid, 2-amino-|anthranilate|1-Amino-2-carboxybenzene|ortho-Aminobenzoic acid|Benzoic acid, o-amino-|Carboxyaniline|Kyselina anthranilova|NCI-C01730|Benzoic acid, amino-|Vitamin L|Cas... | anthranilic acid | 227 |
Pentose | oxane-2,3,4,5-tetrol | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2 | SRBFZHDQGSBBOR-UHFFFAOYSA-N | C1C(C(C(C(O1)O)O)O)O | 2005-03-25 | Pentopyranose|Pentose|pentopyranoside|oxane-2,3,4,5-tetrol|1132639-46-3|beta-D-Ribopyranose (9CI)|87-72-9|D-[4-2H]ribose|alpha-L-Lyxopyranose (9CI)|L-[1-13C]xylose|L-[5-13C]xylose|alpha-D-Arabinopyranose (9CI)|57066-79-2|DTXSID60859031|D-[1,2-13C2]ribose|L-[2-13C]XYLOSE|(3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetraol|D-... | Pentoses | 229 |
5-o-Phosphonopentose | (2,3,4-trihydroxy-5-oxopentyl) dihydrogen phosphate | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12) | PPQRONHOSHZGFQ-UHFFFAOYSA-N | C(C(C(C(C=O)O)O)O)OP(=O)(O)O | 2005-06-23 | 5-o-phosphonopentose|D-arabinose-5-phosphate|D-Ribose 5-phosphate|(Rel)-D-Ribose 5-phosphate|SCHEMBL321875|(2,3,4-trihydroxy-5-oxopentyl) dihydrogen phosphate|DTXSID10863224|2,6-Di(5,6-d|DA-28904|NS00047890 | ribose-5-phosphate | 230 |
Arsenic Acid | arsoric acid | InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5) | DJHGAFSJWGLOIV-UHFFFAOYSA-N | O[As](=O)(O)O | 2004-09-16 | Arsenic acid|arsoric acid|Orthoarsenic acid|7778-39-4|Zotox|Desiccant L-10|Scorch|Arsenic acid (H3AsO4)|Crab grass killer|Dessicant L-10|Arsenic acid, liquid|Caswell No. 056|Zotox Crab Grass Killer|RCRA waste number P010|HI-Yield desiccant H-10|Acide arsenique liquide|HSDB 431|Acide arsenique liquide [French]|UNII-N7CI... | arsenic acid | 234 |
DL-Asparagine | 2,4-diamino-4-oxobutanoic acid | InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) | DCXYFEDJOCDNAF-UHFFFAOYSA-N | C(C(C(=O)O)N)C(=O)N | 2004-09-16 | DL-Asparagine|3130-87-8|2,4-diamino-4-oxobutanoic acid|asparagin|Asparagine, DL-|2-amino-3-carbamoylpropanoic acid|ASPARAGINE, DL|2-amino-3-carbamoyl-propanoic acid|7006-34-0|DTXSID30859927|NSC7891|NSC 7891|NSC82391|EINECS 221-521-1|NSC 206243|H-Asn-OH HO|WLN: ZV1YZVQ|asparagina|Hasp|Asparagine #|DL-Aspartic acid 4-ami... | Asparagine | 236 |
Quinacrine | 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine | InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26) | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC | 2005-03-25 | quinacrine|mepacrine|atabrine|83-89-6|Acrinamine|Acriquine|Akrichin|Antimalarina|Haffkinine|Italchine|Quinactine|Erion|acrichine|Mepacrina|Mepacrinum|Quinacrin|Quinacrine hydrochloride|Mepacrine [INN:BAN]|Mepacrinum [INN-Latin]|Mepacrina [INN-Spanish]|atebrin|St 439|6-Chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-... | Quinacrine | 237 |
R-Phycoerythrin | [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20) | ZKHQWZAMYRWXGA-UHFFFAOYSA-N | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | 2005-03-25 | R-PHYCOERYTHRIN|11016-17-4|Ara-ATP|Triphosadenine|3-Methylbenzo[d]thiazol-3-iuM chloride|ATP disodium|adenosin-5'-triphosphat|Laevadosin|MFCD00065467|119439-06-4|SCHEMBL889293|BCP31121|NSC20268|Adenosine triphosphate;ATP;Myotriphos|AKOS025397170|DA-67302|SY096717|NS00013346|L000988|Adenosine 5 inverted exclamation mark... | Phycoerythrin | 238 |
Beta-Alanine | 3-aminopropanoic acid | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) | UCMIRNVEIXFBKS-UHFFFAOYSA-N | C(CN)C(=O)O | 2004-09-16 | beta-alanine|3-Aminopropanoic acid|107-95-9|3-Aminopropionic acid|Beta Alanine|Abufene|H-beta-Ala-OH|beta-Aminopropionic acid|2-Carboxyethylamine|.beta.-Alanine|Alanine, beta-|beta-Ala|Propanoic acid, 3-amino-|3-Aminopropionsaeure|beta-Aminopropionsaeure|B-ALANINE|omega-Aminopropionic acid|3-Aminopropanoate|FEMA No. 32... | beta-Alanine | 239 |
Benzaldehyde | benzaldehyde | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H | HUMNYLRZRPPJDN-UHFFFAOYSA-N | C1=CC=C(C=C1)C=O | 2004-09-16 | benzaldehyde|100-52-7|Benzoic aldehyde|Phenylmethanal|Benzenecarboxaldehyde|Benzenecarbonal|Benzenemethylal|Benzaldehyde FFC|Benzene carbaldehyde|Benzene carboxaldehyde|benzanoaldehyde|Benzylaldehyde|Benzoyl hydride|NCI-C56133|Benzoic acid aldehyde|FEMA No. 2127|Caswell No. 076|Phenylformaldehyde|Benzaldehyde (natural)... | benzaldehyde | 240 |
Benzene | benzene | InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H | UHOVQNZJYSORNB-UHFFFAOYSA-N | C1=CC=CC=C1 | 2004-09-16 | benzene|benzol|71-43-2|Cyclohexatriene|benzole|Pyrobenzole|Benzine|Benzen|Coal naphtha|Pyrobenzol|Mineral naphtha|Phene|Phenyl hydride|Benzolene|Bicarburet of hydrogen|Motor benzol|Benzeen|Benzin|Benzolo|Fenzen|[6]Annulene|Nitration benzene|(6)Annulene|Benzol 90|NCI-C55276|Benzine (Obs.)|Rcra waste number U019|Benzin (... | Benzene | 241 |
Benzoic acid, ion(1-) | benzoate | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1 | WPYMKLBDIGXBTP-UHFFFAOYSA-M | C1=CC=C(C=C1)C(=O)[O-] | 2004-09-16 | benzoate|766-76-7|benzoic acid anion|Benzoic acid, ion(1-)|Phenylformate|benzoate anion|Benzeneformate|Tennplas|Benzenemethanoate|Phenylcarboxylate|Benzenecarboxylate|Retarded BA|Oracyclic acid|benzene-carboxylate|Benzene formic acid|Phenyl carboxylic acid|GTPL4565|DTXSID4043771|BDBM36181|CHEBI:16150|STL483236|NCGC0024... | Benzoates | 242 |
Benzoic Acid | benzoic acid | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | WPYMKLBDIGXBTP-UHFFFAOYSA-N | C1=CC=C(C=C1)C(=O)O | 2004-09-16 | benzoic acid|65-85-0|Dracylic acid|benzenecarboxylic acid|Carboxybenzene|Benzeneformic acid|phenylformic acid|Benzenemethanoic acid|Phenylcarboxylic acid|benzoate|Retardex|Benzoesaeure GK|Benzoesaeure GV|Retarder BA|Tenn-Plas|Acide benzoique|Salvo liquid|Solvo powder|Benzoesaeure|Benzoic acid, tech.|Unisept BZA|HA 1 (a... | Benzoic Acid | 243 |
Benzyl Alcohol | phenylmethanol | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 | WVDDGKGOMKODPV-UHFFFAOYSA-N | C1=CC=C(C=C1)CO | 2004-09-16 | benzyl alcohol|phenylmethanol|benzenemethanol|100-51-6|phenylcarbinol|benzylalcohol|Benzoyl alcohol|Benzenecarbinol|alpha-Toluenol|Phenylmethyl alcohol|Hydroxytoluene|(Hydroxymethyl)benzene|Phenolcarbinol|Alcool benzylique|Benzal alcohol|Methanol, phenyl-|alpha-hydroxytoluene|benzylic alcohol|Benzylicum|Phenylcarbinolu... | Benzyl Alcohol | 244 |
2-Acetamido-2-deoxy-4-O-(beta-D-mannopyranosyl)-D-glucose | N-[2,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide | InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18) | KFEUJDWYNGMDBV-UHFFFAOYSA-N | CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)O)O | 2005-06-23 | N-acetyllactosamine|32181-59-2|55637-63-3|LacNAc|2-Acetamido-2-deoxy-4-O-(beta-D-mannopyranosyl)-D-glucose|MFCD00063785|Man-?-1,4-GlcNAc|SCHEMBL13211438|DTXSID70865623|N-[(3R,4R,5S,6R)-2,4-DIHYDROXY-6-(HYDROXYMETHYL)-5-{[(2S,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-3-YL]ACETAMIDE|N-[(3S,4R,5S,6... | 4-O-mannopyranosyl-2-acetamido-2-deoxyglucose | 245 |
Betaine | 2-(trimethylazaniumyl)acetate | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 | KWIUHFFTVRNATP-UHFFFAOYSA-N | C[N+](C)(C)CC(=O)[O-] | 2004-09-16 | betaine|107-43-7|glycine betaine|oxyneurine|Trimethylglycine|lycine|Abromine|Trimethylglycocoll|Glycocoll betaine|Glycylbetaine|BETAINE, ANHYDROUS|Rubrine C|Jortaine|2-(trimethylazaniumyl)acetate|acidin-pepsin|alpha-Earleine|trimethylammonioacetate|N,N,N-trimethylglycine|2-(Trimethylammonio)Acetate|Glycine, trimethylbe... | Betaine | 247 |
N,N,N-trimethylglycinium | carboxymethyl(trimethyl)azanium | InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1 | KWIUHFFTVRNATP-UHFFFAOYSA-O | C[N+](C)(C)CC(=O)O | 2004-09-16 | TRIMETHYL GLYCINE|N,N,N-trimethylglycinium|Cystadane|carboxymethyl(trimethyl)azanium|carboxy-N,N,N-trimethylmethanaminium|Loramine AMB-13|CHEBI:41139|6640-00-2|Aminocoat|Betafin|Greenstim|FinnStim|Betafin BP|Betafin BCR|.alpha.-Earleine|(Carboxymethyl)trimethylammonium hydroxide inner salt|FEMA NO. 4223|NCGC00015150-03... | Betaine | 248 |
Betaine Aldehyde | trimethyl(2-oxoethyl)azanium | InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1 | SXKNCCSPZDCRFD-UHFFFAOYSA-N | C[N+](C)(C)CC=O | 2004-09-16 | betaine aldehyde|glycine betaine aldehyde|7418-61-3|trimethyl(2-oxoethyl)azanium|Trimethyl(formylmethyl)ammonium|(Formylmethyl)trimethylammonium|CHEBI:15710|DEI7V5X7RB|Ethanaminium, N,N,N-trimethyl-2-oxo-|N,N,N-trimethyl-2-oxoethanaminium|BTL|Betaine aldehyde, chloride salt|DTXSID20225152|N,N,N-trimethyl-2-oxoethylammo... | betaine aldehyde | 249 |
3-[2-[[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid | 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid | InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41) | RCNSAJSGRJSBKK-UHFFFAOYSA-N | CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O | 2005-03-25 | biliverdin|114-25-0|123316-14-3|SCHEMBL14265594|3,18-Diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid|3-(2-{[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene}-5-[(4-ethenyl-3-methyl-5-oxo-1H-pyrrol-2-ylidene)... | Biliverdine | 251 |
2,3-Biphenyldiol | 3-phenylbenzene-1,2-diol | InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H | YKOQAAJBYBTSBS-UHFFFAOYSA-N | C1=CC=C(C=C1)C2=C(C(=CC=C2)O)O | 2004-09-16 | biphenyl-2,3-diol|1133-63-7|2,3-Dihydroxybiphenyl|2,3-Biphenyldiol|[1,1'-Biphenyl]-2,3-diol|3-phenylbenzene-1,2-diol|2,3-Dihydroxy-biphenyl|3-phenylcatechol|3-Phenylpyrocatechol|(1,1'-Biphenyl)-2,3-diol|XQT8N5388Z|PYROCATECHOL, 3-PHENYL-|CHEBI:16205|DTXSID60150353|1,2-BENZENEDIOL, 3-PHENYL-|1kmy|UNII-XQT8N5388Z|SCHEMBL... | 2,3-dihydroxybiphenyl | 254 |
Bis(4-nitrophenyl)phosphate | bis(4-nitrophenyl) hydrogen phosphate | InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20) | MHSVUSZEHNVFKW-UHFFFAOYSA-N | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-] | 2005-03-26 | 645-15-8|bis(4-nitrophenyl) phosphate|Bis(4-nitrophenyl) hydrogen phosphate|Bis(4-nitrophenyl)phosphate|BNPP|bis(p-nitrophenyl)phosphate|bis(p-nitrophenyl) phosphate|Bis(4-nitrophenyl)phosphoric acid|Phosphoric acid, bis(4-nitrophenyl) ester|di-p-nitrophenyl phosphate|p-Nitrophenyl monohydrogen phosphate|Phosphoric aci... | bis(4-nitrophenyl)phosphate | 255 |
Blasticidin S, Hydrochloride | 3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid | InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29) | CXNPLSGKWMLZPZ-UHFFFAOYSA-N | CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N | 2005-03-25 | Blasticidin S|NSC613045|2079-00-7|Blasticidin S, Hydrochloride|SCHEMBL21704|CHEMBL1622944|DTXSID80862825|CAA07900|NSC-613045|DB-045371|1-(4-{(Z)-[3-Amino-1-hydroxy-5-(N-methylcarbamimidamido)pentylidene]amino}-2,3,4-trideoxyhex-2-enopyranuronosyl)-4-imino-1,4-dihydropyrimidin-2-ol|2(1H)-Pyrimidinone, 1-[4-[[3-amino-5-[... | blasticidin S | 258 |
Bromide ion | bromide | InChI=1S/BrH/h1H/p-1 | CPELXLSAUQHCOX-UHFFFAOYSA-M | [Br-] | 2004-09-16 | bromide|bromide ion|24959-67-9|Bromide ions|Inorganic bromides|Bromide (Br-)|bromide(1-)|Caswell No. 499D|bromine anion|Bromide Anion|Br-|UNII-952902IX06|EPA Pesticide Chemical Code 053200|Br(-)|BROMINE, ION (BR1-)|952902IX06|DTXSID6043967|CHEBI:15858|HYDROBROMIC ACID, ION(1-)|Bromide - Br(-) @1000microg/mL|Bromide (fr... | Bromides | 259 |
Hydrobromic Acid | bromane | InChI=1S/BrH/h1H | CPELXLSAUQHCOX-UHFFFAOYSA-N | Br | 2004-09-16 | Hydrogen bromide|HYDROBROMIC ACID|10035-10-6|hydrobromide|bromane|Bromwasserstoff|Broomwaterstof|Bromowodor|Acido bromidrico|Acide bromhydrique|Hydrogen bromide (HBr)|Anhydrous hydrobromic acid|Hydrogen bromide, anhydrous|Acido bromhidrico|Hydrogen monobromide|HSDB 570|CHEBI:47266|UNII-3IY7CNP8XJ|3IY7CNP8XJ|Bromure d'h... | Hydrobromic Acid | 260 |
Butyraldehyde | butanal | InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N | CCCC=O | 2004-09-16 | butyraldehyde|butanal|123-72-8|n-butyraldehyde|Butyral|1-butanal|Butyric aldehyde|Butaldehyde|Butanaldehyde|Butylaldehyde|Butal|n-Butanal|Butalyde|Butyraldehyd|Butyl aldehyde|Aldeide butirrica|Aldehyde butyrique|Butyrylaldehyde|n-Butyl aldehyde|butan-1-al|NCI-C56291|FEMA Number 2219|NSC 62779|CCRIS 3221|HSDB 2798|n-C3H... | butyraldehyde | 261 |
2,3-Butanediol | butane-2,3-diol | InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 | OWBTYPJTUOEWEK-UHFFFAOYSA-N | CC(C(C)O)O | 2005-03-26 | 2,3-butanediol|513-85-9|Butane-2,3-diol|2,3-butylene glycol|2,3-Dihydroxybutane|Dimethylene glycol|Dimethylethylene glycol|Pseudobutylene glycol|Sym-dimethylethylene glycol|DL-2,3-Butanediol|CCRIS 5501|123513-85-9|HSDB 1505|EINECS 208-173-6|MFCD00004523|BRN 0969165|DTXSID8041321|CHEBI:62064|DTXCID6021321|NISTC6982258|E... | 2,3-butylene glycol | 262 |
1-Butanol | butan-1-ol | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 | LRHPLDYGYMQRHN-UHFFFAOYSA-N | CCCCO | 2004-09-16 | 1-butanol|butanol|Butan-1-ol|n-butanol|71-36-3|Butyl alcohol|n-butyl alcohol|1-hydroxybutane|Propylcarbinol|Butyl hydroxide|Methylolpropane|Propylmethanol|Hemostyp|n-Butan-1-ol|Butyric alcohol|1-Butyl alcohol|Butanolo|Propyl carbinol|Alcool butylique|Butylowy alkohol|BuOH|Butanolen|Normal primary butyl alcohol|RCRA was... | 1-Butanol | 263 |
Butyric Acid | butanoic acid | InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) | FERIUCNNQQJTOY-UHFFFAOYSA-N | CCCC(=O)O | 2004-09-16 | butyric acid|butanoic acid|107-92-6|n-Butyric acid|n-Butanoic acid|propylformic acid|ethylacetic acid|1-propanecarboxylic acid|butyrate|Butanic acid|1-Butyric acid|Buttersaeure|butanoate|Butyric acid (natural)|Kyselina maselna|FEMA No. 2221|Propanecarboxylic acid|1-butanoic acid|acide butyrique|butoic acid|Buttersaeure... | Butyric Acid | 264 |
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate | InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40) | CRFNGMNYKDXRTN-UHFFFAOYSA-N | CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | 2005-06-23 | butyryl-CoA|S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate|SCHEMBL4367366|DTXSID70862839|NS00014819|Q42412398|S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)o... | butyryl-coenzyme A | 265 |
Cadaverine | pentane-1,5-diamine | InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 | VHRGRCVQAFMJIZ-UHFFFAOYSA-N | C(CCN)CCN | 2004-09-16 | Pentane-1,5-diamine|1,5-Diaminopentane|cadaverine|462-94-2|1,5-pentanediamine|pentamethylenediamine|Cadaverin|1,5-Pentamethylenediamine|Animal coniine|AI3-26937|1,5-Diamino-n-pentane|BRN 1697256|UNII-L90BEN6OLL|L90BEN6OLL|EINECS 207-329-0|CHEBI:18127|HSDB 7866|CHEMBL119296|DTXSID5075448|EC 207-329-0|4-04-00-01310 (Beil... | Cadaverine | 273 |
Acrasin | 6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) | IVOMOUWHDPKRLL-UHFFFAOYSA-N | C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O | 2005-03-25 | Acrasin|NSC94017|24493-93-4|6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol|6-(6-Amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide|Cyclic 9 beta-D-arabinosyladenine 3',5'-monophosphate|Adenosine-3',5'-cyclic phosphate|NSC-94017|Pro... | acrasin | 274 |
Carbamate | carbamate | InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1 | KXDHJXZQYSOELW-UHFFFAOYSA-M | C(=O)(N)[O-] | 2005-06-23 | carbamate|Carbamic acid, ion(1-)|Carbamate ion|Carbamat|Karbamat|302-11-4|CHEBI:13941|DTXSID80184291|Carbamates|carboxyamide|carboxy-amide|racemic carbamate|7224-09-1|DTXCID90106782|KXDHJXZQYSOELW-UHFFFAOYSA-M|OTTSIBOPBONYJO-UHFFFAOYSA-N|Q27108972 | Carbamates | 276 |
Carbamic Acid | carbamic acid | InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4) | KXDHJXZQYSOELW-UHFFFAOYSA-N | C(=O)(N)O | 2004-09-16 | CARBAMIC ACID|Aminoformic acid|463-77-4|Aminoameisensaeure|imidocarbonic acid|Aminomethanoic Acid|Aminoformate|Carbamidsaeure|UNII-O0UC6XOS4H|Carbonimidic acid|O0UC6XOS4H|aminocarboxylic acid|Carbamate ion|CHEBI:28616|ISOCARBAMIC ACID|IMINOCARBONIC ACID|carbamic acid, sodium salt|FORMIC ACID, AMINO-|DTXSID5048009|carba... | carbamic acid | 277 |
Carbamoyl Phosphate | phosphono carbamate | InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6) | FFQKYPRQEYGKAF-UHFFFAOYSA-N | C(=O)(N)OP(=O)(O)O | 2004-09-16 | Carbamoyl phosphate|carbamoylphosphate|CARBAMYL PHOSPHATE|phosphono carbamate|590-55-6|carbamoyl-P|aminocarbonyl dihydrogen phosphate|monocarbamoyl phosphate|carbamyl-phosphate|PHOSPHORIC ACID MONO(FORMAMIDE)ESTER|GC5KZW01Q3|(carbamoyloxy)phosphonic acid|carbamoyl dihydrogen phosphate|carbamic phosphoric monoanhydride|... | Carbamyl Phosphate | 278 |
Ureidosuccinic acid | 2-(carbamoylamino)butanedioic acid | InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12) | HLKXYZVTANABHZ-UHFFFAOYSA-N | C(C(C(=O)O)NC(=O)N)C(=O)O | 2005-03-26 | 923-37-5|Ureidosuccinic acid|N-Carbamoyl-DL-aspartic acid|2-Ureidosuccinic acid|2-(carbamoylamino)butanedioic acid|N-(Aminocarbonyl)aspartic acid|N-(Aminocarbonyl)-DL-aspartic acid|DL-Aspartic acid, N-(aminocarbonyl)-|Carbamylaspartic acid|2-Ureidobutanedioic acid|NSC14983|Carbamyl-dl-aspartic acid|MFCD00042822|O3Y2KY1... | ureidosuccinic acid | 279 |
Carbon Monoxide | carbon monoxide | InChI=1S/CO/c1-2 | UGFAIRIUMAVXCW-UHFFFAOYSA-N | [C-]#[O+] | 2004-09-16 | 35907-63-2|CARBON MONOXIDE (13C; 18O)|carbon monoxide|carbon monooxide|Carbonic oxide|Carbon oxide (CO)|carbon(II) oxide|630-08-0|Exhaust gas|Flue gas|monoxide|Kohlenmonoxid|Koolmonoxyde|Kohlenoxyd|Wegla tlenek|Oxyde de carbone|Carbone (oxyde de)|Carboneum oxygenisatum|Carbonio (ossido di)|HSDB 903|Carbon monoxide [USA... | Carbon Monoxide | 281 |
Formate | formate | InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1 | BDAGIHXWWSANSR-UHFFFAOYSA-M | C(=O)[O-] | 2004-09-16 | formate|Formic acid, ion(1-)|71-47-6|HCO2 anion|aminate|formylate|methanoate|hydrogen carboxylate|HCO2-|Formate Standard: HCO2- @ 1000 microg/mL in H2O|CHEMBL183491|formiate|formate anion|Formate ion|Sodium; formate|a carboxyl group|Hydrogencarboxylic acid|HCOO-|GTPL4540|CHEBI:15740|CHEBI:35757|DTXSID60221219|BDAGIHXWW... | formic acid | 283 |
Formic Acid | formic acid | InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) | BDAGIHXWWSANSR-UHFFFAOYSA-N | C(=O)O | 2004-09-16 | formic acid|Methanoic acid|64-18-6|Formylic acid|Aminic acid|Bilorin|Hydrogen carboxylic acid|Formisoton|Formira|Myrmicyl|Collo-bueglatt|Collo-didax|Acide formique|Add-F|Ameisensaeure|C1 acid|Formic acid (natural)|RCRA waste number U123|Mierenzuur|Acido formico|Formicum acidum|Kwas metaniowy|Kyselina mravenci|FEMA No. ... | formic acid | 284 |
(Aminooxy)acetate | 2-aminooxyacetate | InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)/p-1 | NQRKYASMKDDGHT-UHFFFAOYSA-M | C(C(=O)[O-])ON | 2005-06-23 | (aminooxy)acetate|2-aminooxyacetate|Aminooxyacetate|Acid, Aminooxyacetic|hydroxylamine-O-acetic acid|2-aminooxyethanoate|2-(aminooxy)acetate|CHEBI:157642 | Aminooxyacetic Acid | 285 |
Aminooxyacetic Acid | 2-aminooxyacetic acid | InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5) | NQRKYASMKDDGHT-UHFFFAOYSA-N | C(C(=O)O)ON | 2005-03-25 | Aminooxyacetic acid|645-88-5|(aminooxy)acetic acid|2-(Aminooxy)acetic acid|Aminooxy-acetic acid|aminoxyacetic acid|AOAA|carboxymethoxylamine|Carboxymethoxyamine|2-aminooxyacetic acid|ACETIC ACID, (AMINOOXY)-|(Carboxymethoxy)amine|(o-Carboxymethyl)hydroxylamine|u-7524|Acetic acid,2-(aminooxy)-|UNII-14I68GI3OQ|BRN 087823... | Aminooxyacetic Acid | 286 |
Carnitine | 3-hydroxy-4-(trimethylazaniumyl)butanoate | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 | PHIQHXFUZVPYII-UHFFFAOYSA-N | C[N+](C)(C)CC(CC(=O)[O-])O | 2005-06-23 | DL-Carnitine|Carnitine|406-76-8|L(-)-Carnitine|461-06-3|Carnitine DL-form|Carnitine [INN]|Carnitina|3-hydroxy-4-(trimethylammonio)butanoate|Excitine|Novaine|Vitacarn|Carnum|Novain|3-hydroxy-4-(trimethylazaniumyl)butanoate|D,L-carnitine|EINECS 206-976-6|S7UI8SM58A|CHEBI:17126|CARNITINE [VANDF]|CARNITINE [MART.]|NSC-7573... | Carnitine | 288 |
Catechol | benzene-1,2-diol | InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H | YCIMNLLNPGFGHC-UHFFFAOYSA-N | C1=CC=C(C(=C1)O)O | 2004-09-16 | pyrocatechol|catechol|120-80-9|1,2-dihydroxybenzene|1,2-benzenediol|benzene-1,2-diol|pyrocatechin|2-hydroxyphenol|o-Benzenediol|o-Dihydroxybenzene|o-Dioxybenzene|o-Hydroquinone|o-Hydroxyphenol|Phthalhydroquinone|Pyrocatechine|o-Phenylenediol|Oxyphenic acid|Fouramine PCH|benzenediol|Durafur developer C|Pelagol Grey C|Ca... | catechol | 289 |
Methane | methane | InChI=1S/CH4/h1H4 | VNWKTOKETHGBQD-UHFFFAOYSA-N | C | 2004-09-16 | methane|Methyl hydride|Marsh gas|Biogas|Fire Damp|74-82-8|R 50 (refrigerant)|metano|methan|tetrahydridocarbon|Methane in gaseus state|HSDB 167|150036-83-2|BRN 1718732|UNII-OP0UW79H66|UN1971|UN1972|OP0UW79H66|CH4|CHEBI:16183|R 50|Methane-12C|AC1L18XA|CHEMBL17564|CTK2H7747|AC1Q2825|AKOS005166816|C01438|0CB689EE-132E-4559... | Methane | 297 |
2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide | 2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide | InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18) | WIIZWVCIJKGZOK-UHFFFAOYSA-N | C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] | 2005-03-25 | 579-51-1|2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide|Dextromycetin|Tyfomycine|Cloramfen|2,2-DICHLORO-N-(1,3-DIHYDROXY-1-(4-NITROPHENYL)PROPAN-2-YL)ACETAMIDE|Ak-chlor|2,2-Dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide|Gloveticol|Mycochlorin|Ocuphenicol|Sintomicetin|Chlo... | Levoplast | 298 |
Chlordecone | 1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one | InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20 | LHHGDZSESBACKH-UHFFFAOYSA-N | C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl | 2004-09-16 | chlordecone|Kepone|143-50-0|Clordecone|Merex|Decachloroketone|Chlordecone [ISO]|Chlordecone (kepone)|Compound 1189|Caswell No. 275|General chemicals 1189|Rcra waste number U142|Decachlorotetracyclodecanone|Kepone-2-one, decachlorooctahydro-|CCRIS 128|GC 1189|CHEBI:16548|HSDB 1558|UNII-RG5XJ88UDF|NCI-C00191|EINECS 205-6... | Chlordecone | 299 |
Chloroacetic acid | 2-chloroacetic acid | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) | FOCAUTSVDIKZOP-UHFFFAOYSA-N | C(C(=O)O)Cl | 2004-09-16 | chloroacetic acid|Monochloroacetic acid|79-11-8|2-chloroacetic acid|Chloracetic acid|Chloroethanoic acid|Acetic acid, chloro-|Acide chloracetique|Monochloroethanoic acid|Monochloracetic acid|Monochloorazijnzuur|Monochloressigsaeure|Acidomonocloroacetico|2-chloro-acetic acid|Acide monochloracetique|Chloroacetic acid, so... | chloroacetic acid | 300 |
Chlorohydroquinone | 2-chlorobenzene-1,4-diol | InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H | AJPXTSMULZANCB-UHFFFAOYSA-N | C1=CC(=C(C=C1O)Cl)O | 2005-03-26 | chlorohydroquinone|615-67-8|2-chlorobenzene-1,4-diol|2-Chlorohydroquinone|Chloroquinol|Monochlorohydroquinone|1,4-Benzenediol, 2-chloro-|2-Chloro-1,4-benzenediol|Hydroquinone, chloro-|2,5-Dihydroxychlorobenzene|2-Chloro-1,4-dihydroxybenzene|1,4-Dihydroxy-2-chlorobenzene|2-Chloro-1,4-hydroxyquinone|1,4-Dihydroxyl-2-chlo... | 2-chloro-1,4-hydroxyquinone | 301 |
Ox bile extract | 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid | InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29) | BHQCQFFYRZLCQQ-UHFFFAOYSA-N | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C | 2005-03-25 | GALL|3,7,12-Trihydroxycholan-24-oic acid|4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid|Bile acid|Choleinsaure|NSC657947|Acid, Cholic|Cholan-24-oic acid, 3,7,12-trihydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-|4-(3,7,12-trihydroxy... | Bile Acids and Salts | 303 |
Choline | 2-hydroxyethyl(trimethyl)azanium | InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | OEYIOHPDSNJKLS-UHFFFAOYSA-N | C[N+](C)(C)CCO | 2004-09-16 | choline|Choline ion|Bilineurine|62-49-7|Choline cation|2-Hydroxy-N,N,N-trimethylethanaminium|Cholinum|Ethanaminium, 2-hydroxy-N,N,N-trimethyl-|(2-Hydroxyethyl)trimethylammonium|trimethylethanolamine|vitamin J|N-trimethylethanolamine|CCRIS 5847|2-hydroxyethyl(trimethyl)azanium|AI3-24208|N,N,N-trimethylethanol-ammonium|C... | Choline | 305 |
3-Phenyl-propenal | 3-phenylprop-2-enal | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H | KJPRLNWUNMBNBZ-UHFFFAOYSA-N | C1=CC=C(C=C1)C=CC=O | 2005-03-26 | 3-phenyl-propenal|3-Phenyl-2-propenal|Propenaldehyde, 3-phenyl-|2-Propenaldehyde, 3-phenyl-|DTXSID1024835|formylstyrene|3-phenyl-prop-2-enal|3-phenyl-2-propen-1-one|SCHEMBL5817749|CHEMBL3187944|AKOS025243266|DB-003616|NS00098684 | cinnamaldehyde | 307 |
Phenylallyl alcohol | 3-phenylprop-2-en-1-ol | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2 | OOCCDEMITAIZTP-UHFFFAOYSA-N | C1=CC=C(C=C1)C=CCO | 2005-03-26 | Phenylallyl alcohol|3-Phenyl-2-propenol|3-phenyl-2-propene-1-ol|trans-cinnamic alcohol|1-Phenyl-1-propen-3-ol|styrene-methanol|MFCD22422327|Phenyl-2-propenol|(Hydroxymethyl)styrene|Cinnamyl alcohol, 8CI|(3-phenyl)-allyl alcohol|3-phenyl-prop-2-en-1-ol|CHEMBL3183153|FEMA 2294|AKOS028110016|NCGC00166097-02|NCGC00248190-0... | cinnamyl alcohol | 308 |
1-Propene-1,2,3-tricarboxylic acid | prop-1-ene-1,2,3-tricarboxylic acid | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) | GTZCVFVGUGFEME-UHFFFAOYSA-N | C(C(=CC(=O)O)C(=O)O)C(=O)O | 2004-09-16 | ACONITIC ACID|1-Propene-1,2,3-tricarboxylic acid|499-12-7|Propene-1,2,3-tricarboxylic acid|aconitate|CHEBI:22211|NSC7616|1-Propene-1,2,3-tricarboxylic acid, cis-|Spectrum_001377|SpecPlus_000379|Spectrum2_001788|Spectrum3_001348|Spectrum4_001744|NCIStruc1_000121|NCIStruc2_000171|KBioGR_002188|KBioSS_001857|DivK1c_006475... | Aconitic Acid | 309 |
Citric Acid | 2-hydroxypropane-1,2,3-tricarboxylic acid | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) | KRKNYBCHXYNGOX-UHFFFAOYSA-N | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | 2004-09-16 | citric acid|77-92-9|Citric acid, anhydrous|2-hydroxypropane-1,2,3-tricarboxylic acid|Anhydrous citric acid|Aciletten|Citro|Citric acid anhydrous|Citretten|Chemfill|Hydrocerol A|1,2,3-Propanetricarboxylic acid, 2-hydroxy-|Kyselina citronova|2-hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxytricarballylic acid|Caswell N... | Citric Acid | 311 |
Chloride Ion | chloride | InChI=1S/ClH/h1H/p-1 | VEXZGXHMUGYJMC-UHFFFAOYSA-M | [Cl-] | 2004-09-16 | 16887-00-6|chloride|chloride ion|Chloride anion|Chloride(1-)|Chloride (ion)|Chlorides|Chloride ions|Perchloride|Chlorine anion|Chlorine, ion|Pls216 protein|Cl-|UNII-Q32ZN48698|131500-00-0|Q32ZN48698|Hydrochloric acid, ion(1-)|Cl(-)|Cadmium manganese mercury telluride (Cd0.2Mn0.04Hg0.76Te)|DTXSID6043969|CHEBI:17996|Chlo... | Chlorides | 312 |
Hydrochloric Acid | chlorane | InChI=1S/ClH/h1H | VEXZGXHMUGYJMC-UHFFFAOYSA-N | Cl | 2004-09-16 | hydrochloric acid|hydrogen chloride|7647-01-0|Muriatic acid|chlorane|Chlorohydric acid|Acide chlorhydrique|Anhydrous hydrochloric acid|Chlorwasserstoff|Muriaticum acidum|Chloorwaterstof|Chlorowodor|Acido cloridrico|Bowl Cleaner|Hydrogen chloride (HCl)|chlorure d'hydrogene|Hydrogenchlorid|4-D Bowl Sanitizer|Emulsion Bow... | Hydrochloric Acid | 313 |
Cytosine arabinoside monophosphate | [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) | IERHLVCPSMICTF-UHFFFAOYSA-N | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O | 2005-03-26 | 30811-80-4|Cytosine arabinoside monophosphate|NSC99445|[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate|MLS002701948|4-amino-1-(5-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one|686299-78-5|(5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate|5'-Cytidy... | Poly C | 314 |
5-Acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid | 5-acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid | InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34) | TXCIAUNLDRJGJZ-UHFFFAOYSA-N | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O | 2005-06-23 | 5-acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid|CMP-Neu5Ac|3063-71-6|N-Acetyl-b-neuraminic acid|5-ACETYLAMINO-2-[[5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-4... | Cytidine Monophosphate N-Acetylneuraminic Acid | 316 |
coproporphyrinogen III | 3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid | InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) | NIUVHXTXUXOFEB-UHFFFAOYSA-N | CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C | 2005-06-01 | coproporphyrinogen III|2624-63-7|coproporphyrinogen|coproporphyrinogen-III|CHEBI:15439|DTXSID40180875|5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-2,7,12,18-porphinetetrapropionic acid|21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-|3-[8,12,17-tris(2-carboxyethyl)-3... | coproporphyrinogen III | 321 |
Coumarin | chromen-2-one | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N | C1=CC=C2C(=C1)C=CC(=O)O2 | 2004-09-16 | coumarin|91-64-5|2H-Chromen-2-one|2H-1-Benzopyran-2-one|cumarin|1,2-Benzopyrone|chromen-2-one|Rattex|Coumarinic anhydride|Tonka bean camphor|Coumarine|cis-o-Coumarinic acid lactone|Coumarinic lactone|o-Hydroxycinnamic acid lactone|Benzo-alpha-pyrone|o-Hydroxycinnamic lactone|2-Oxo-1,2-benzopyran|Kumarin|Benzo-a-pyrone|... | coumarin | 323 |
4-Isopropylbenzyl alcohol | (4-propan-2-ylphenyl)methanol | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3 | OIGWAXDAPKFNCQ-UHFFFAOYSA-N | CC(C)C1=CC=C(C=C1)CO | 2005-03-26 | 4-isopropylbenzyl alcohol|536-60-7|Cumic alcohol|Cuminol|(4-Isopropylphenyl)methanol|cuminyl alcohol|cuminic alcohol|Cumyl alcohol|p-Cymen-7-ol|CUMIN ALCOHOL|p-Isopropylbenzyl alcohol|p-cumic alcohol|Benzenemethanol, 4-(1-methylethyl)-|4-(1-Methylethyl)benzenemethanol|Benzyl alcohol, p-isopropyl-|para-cymen-7-ol|(4-pro... | cuminol | 325 |
Cuminaldehyde | 4-propan-2-ylbenzaldehyde | InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 | WTWBUQJHJGUZCY-UHFFFAOYSA-N | CC(C)C1=CC=C(C=C1)C=O | 2005-03-26 | 4-isopropylbenzaldehyde|cuminaldehyde|122-03-2|cuminic aldehyde|cumaldehyde|cuminal|p-cumic aldehyde|Cumic aldehyde|Benzaldehyde, 4-(1-methylethyl)-|Cuminyl aldehyde|P-ISOPROPYLBENZALDEHYDE|4-(1-Methylethyl)benzaldehyde|p-Isopropylbenzenecarboxaldehyde|Benzaldehyde, p-isopropyl-|p-Cuminic aldehyde|P-isopropyl benzaldeh... | cuminaldehyde | 326 |
4-Hydroxyphenylglycolic acid | 2-hydroxy-2-(4-hydroxyphenyl)acetic acid | InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) | YHXHKYRQLYQUIH-UHFFFAOYSA-N | C1=CC(=CC=C1C(C(=O)O)O)O | 2004-09-16 | 4-HMA|1198-84-1|2-hydroxy-2-(4-hydroxyphenyl)acetic acid|4-Hydroxyphenylglycolic acid|4-Hydroxymandelic acid|p-Hydroxymandelic acid|DL-4-Hydroxymandelic acid|Hydroxy(4-hydroxyphenyl)acetic acid|Benzeneacetic acid, alpha,4-dihydroxy-|Mandelic acid, p-hydroxy-|4-Hydroxy-DL-mandelic acid|(RS)-p-Hydroxymandelic acid|DL-p-H... | 4-hydroxymandelic acid | 328 |
(3,4-Dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate | (3,4-dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate | InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12) | CNSJRYUMVMWNMC-UHFFFAOYSA-N | CSCC(C(C(=O)COP(=O)(O)O)O)O | 2005-06-23 | (3,4-dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate|86316-83-8|(3,4-DIHYDROXY-5-METHYLSULFANYL-2-OXO-PENTOXY)PHOSPHONIC ACID|SCHEMBL25391641|S-Methyl-5-thio-D-ribulose 1-phosphoric acid|S-Methyl-5-thio-D-ribulose 1-phosphoric acid(2-) | 1-phospho-5-S-methylthioribulose | 329 |
3,5-Diaminohexanoate | 3,5-diaminohexanoic acid | InChI=1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10) | NGDLSXMSQYUVSJ-UHFFFAOYSA-N | CC(CC(CC(=O)O)N)N | 2005-03-26 | 3,5-diaminohexanoic acid|3,5-Diaminohexanoate|Hexanoic acid, 3,5-diamino-|17027-83-7|3,5-Diaminohexansaeure|SCHEMBL397004|DTXSID70937753|AKOS006363073 | 3,5-diaminohexanoate | 331 |
2-Methoxy-4-vinylphenol | 4-ethenyl-2-methoxyphenol | InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3 | YOMSJEATGXXYPX-UHFFFAOYSA-N | COC1=C(C=CC(=C1)C=C)O | 2005-03-27 | 2-Methoxy-4-vinylphenol|7786-61-0|4-vinylguaiacol|p-Vinylguaiacol|4-Hydroxy-3-methoxystyrene|4-ETHENYL-2-METHOXYPHENOL|Phenol, 4-ethenyl-2-methoxy-|o-methoxy-p-vinylphenol|para-vinylguaiacol|Guaiacol, 4-vinyl-|p-Vinyl guaiacol|4-vinyl-2-methoxyphenol|Phenol, 2-methoxy-4-vinyl-|4-Hydroxy-3-methoxyvinylbenzene|FEMA No. 2... | 4-vinylguaiacol | 332 |
O-Cresol | 2-methylphenol | InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 | QWVGKYWNOKOFNN-UHFFFAOYSA-N | CC1=CC=CC=C1O | 2005-03-26 | o-cresol|2-Methylphenol|95-48-7|Orthocresol|2-hydroxytoluene|2-Cresol|Phenol, 2-methyl-|o-methylphenol|o-Cresylic acid|o-Oxytoluene|o-Toluol|ortho-cresol|1-Hydroxy-2-methylbenzene|o-Hydroxytoluene|o-Methylphenylol|o-Kresol|Cresol, ortho-|Cresol, o-|2-methyl phenol|2-Hydroxy-1-methylbenzene|o-Kresol [German]|2-methyl-ph... | 2-cresol | 335 |
Salicylic Acid | 2-hydroxybenzoic acid | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) | YGSDEFSMJLZEOE-UHFFFAOYSA-N | C1=CC=C(C(=C1)C(=O)O)O | 2004-09-16 | salicylic acid|2-Hydroxybenzoic acid|69-72-7|o-hydroxybenzoic acid|2-Carboxyphenol|o-Carboxyphenol|Rutranex|Salonil|Retarder W|Duoplant|Keralyt|Psoriacid-S-stift|Freezone|Saligel|Ionil|Benzoic acid, 2-hydroxy-|Salicylic acid soap|Stri-Dex|Verrugon|Salicylic acid collodion|Acidum salicylicum|Trans-Ver-Sal|2-Hydroxybenze... | Salicylic Acid | 338 |
Aminoethylphosphonic Acid | 2-aminoethylphosphonic acid | InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) | QQVDJLLNRSOCEL-UHFFFAOYSA-N | C(CP(=O)(O)O)N | 2004-09-16 | (2-Aminoethyl)phosphonic acid|2041-14-7|2-aminoethylphosphonic acid|Ciliatine|Phosphonoethylamine|2-Aminoethanephosphonic acid|AMINOETHYLPHOSPHONIC ACID|Phosphonic acid, (2-aminoethyl)-|(2-Aminoethane)phosphonic acid|(2-aminoethyl)phosphonate|2-Aminoethylphosphonate|beta-Aminoethylphosphonic acid|C2H8NO3P|2-AEP|2-Amino... | Aminoethylphosphonic Acid | 339 |
3-Methylcatechol | 3-methylbenzene-1,2-diol | InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 | PGSWEKYNAOWQDF-UHFFFAOYSA-N | CC1=C(C(=CC=C1)O)O | 2004-09-16 | 3-methylcatechol|3-methylbenzene-1,2-diol|488-17-5|2,3-dihydroxytoluene|3-Methylpyrocatechol|1,2-Benzenediol, 3-methyl-|2,3-Toluenediol|1,2-Dihydroxy-3-methylbenzene|Pyrocatechol, 3-methyl-|Catechol, 3-methyl-|3-Methyl-1,2-benzenediol|Dihydroxytoluene|3-Methyl-1,2-dihydroxybenzene|3-METHYL-BENZENE-1,2-DIOL|NSC 66523|CH... | 3-methylcatechol | 340 |
Digallic Acid | 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid | InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21) | COVFEVWNJUOYRL-UHFFFAOYSA-N | C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O | 2004-09-16 | Digallic acid|536-08-3|m-Digallic acid|m-Galloylgallic acid|Gallic acid 3-monogallate|m-Galloyl gallic acid|3-Galloyl gallic acid|Gallic acid, 3-gallate|NSC 59263|NSC-59263|3,4-Dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoic acid|UNII-404KO0584X|CHEBI:30814|EINECS 208-624-7|gallic acid 5,6-dihydroxy-3-carboxyphenyl e... | digallic acid | 341 |
M-Cresol | 3-methylphenol | InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 | RLSSMJSEOOYNOY-UHFFFAOYSA-N | CC1=CC(=CC=C1)O | 2004-09-16 | m-cresol|3-methylphenol|108-39-4|Metacresol|Phenol, 3-methyl-|3-hydroxytoluene|meta-cresol|3-cresol|m-methylphenol|m-kresol|m-cresylic acid|1-hydroxy-3-methylbenzene|m-oxytoluene|m-toluol|m-Hydroxytoluene|meta-cresylic acid|Cresol, m-|m-Kresol [German]|m-cresylic|m-Cresole|Caswell No. 261A|3-methyl phenol|CRESOL, META|... | 3-cresol | 342 |
4-Hydroxyphenylglyoxylic acid | 2-(4-hydroxyphenyl)-2-oxoacetic acid | InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12) | KXFJZKUFXHWWAJ-UHFFFAOYSA-N | C1=CC(=CC=C1C(=O)C(=O)O)O | 2004-09-16 | 4-Hydroxyphenylglyoxylic acid|15573-67-8|2-(4-hydroxyphenyl)-2-oxoacetic acid|Pisolithin A|(4-hydroxyphenyl)(oxo)acetic acid|4-Hydroxyphenylglyoxylate|4-Hydroxyphenylglyoxylicacid|Benzeneacetic acid, 4-hydroxy-alpha-oxo-|para-Hydroxybenzoylformic acid|CHEBI:28719|4-hydroxybenzoylformate|CHEMBL129918|DTXSID40165960|MFCD... | 4-hydroxyphenylglyoxylic acid | 355 |
Octane | octane | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 | TVMXDCGIABBOFY-UHFFFAOYSA-N | CCCCCCCC | 2004-09-16 | octane|n-octane|111-65-9|Oktan|Oktanen|Ottani|n-Oktan|Oktanen [Dutch]|Oktan [Polish]|Ottani [Italian]|HSDB 108|UNII-X1RV0B2FJV|X1RV0B2FJV|NSC 9822|EINECS 203-892-1|MFCD00009556|DTXSID0026882|CHEBI:17590|AI3-28789|NSC-9822|DTXCID406882|CH3-[CH2]6-CH3|EC 203-892-1|Heptane, methyl-|Octane, all isomers|CH3-(CH2)6-CH3|Octan... | octane | 356 |
5-Amino-3-oxohexanoic acid | 5-amino-3-oxohexanoic acid | InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10) | FAASBXNEOGMQHS-UHFFFAOYSA-N | CC(CC(=O)CC(=O)O)N | 2005-06-23 | 5-Amino-3-oxohexanoic acid|19355-90-9|3-Keto-5-aminohexanoate|SCHEMBL396565|DTXSID10941036 | 3-keto-5-aminohexanoate | 358 |
Phloroglucinol | benzene-1,3,5-triol | InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H | QCDYQQDYXPDABM-UHFFFAOYSA-N | C1=C(C=C(C=C1O)O)O | 2004-09-16 | phloroglucinol|108-73-6|Benzene-1,3,5-triol|1,3,5-benzenetriol|Phloroglucin|1,3,5-trihydroxybenzene|Phloroglucine|Spasfon-Lyoc|Dilospan S|sym-Trihydroxybenzene|s-Trihydroxybenzene|Benzene-s-triol|5-Hydroxyresorcinol|Benzene, trihydroxy|Phloroglucinol anhydrous|5-Oxyresorcinol|3,5-Dihydroxyphenol|Floroglucin|Floroglucin... | Phloroglucinol | 359 |
1,2-Dihydronaphthalene-1,2-diol | 1,2-dihydronaphthalene-1,2-diol | InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H | QPUHWUSUBHNZCG-UHFFFAOYSA-N | C1=CC=C2C(C(C=CC2=C1)O)O | 2004-09-16 | 1,2-Dihydronaphthalene-1,2-diol|1,2-Dihydroxy-1,2-dihydronaphthalene|7234-04-0|syn-1,2-Dihydro-1,2-naphthalenediol|1,2-dihydro-1,2-dihydroxynaphthalene|(+/-)-trans-1,2-Dihydroxy-1,2-dihydronaphthalene|Naphthalene-1,2-dihydrodiol|31966-70-8|1,2-Naphthalenediol, 1,2-dihydro-|(+)-CIS-1(R),2(S)-1,2-DIHYDROXY-1,2-DIHYDRONAP... | 1,2-dihydroxy-1,2-dihydronaphthalene | 362 |
2-Aminoacetaldehyde | 2-aminoacetaldehyde | InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2 | LYIIBVSRGJSHAV-UHFFFAOYSA-N | C(C=O)N | 2004-09-16 | 2-Aminoacetaldehyde|aminoacetaldehyde|6542-88-7|Acetaldehyde, amino-|Amino-Acetaldehyde|Acetaldehyde, amino-(8CI,9CI)|666174-47-6|CHEBI:17628|75G7022MOD|MFCD00801409|H-Gly-2-Chlorotrityl resin|UNII-75G7022MOD|CHEMBL296723|DTXSID50215728|LYIIBVSRGJSHAV-UHFFFAOYSA-N|AKOS006347649|FG111708|FG111774|PD193153|DB-346908|C067... | 2-aminoacetaldehyde | 363 |
2,3-Diaminopropionic acid | 2,3-diaminopropanoic acid | InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) | PECYZEOJVXMISF-UHFFFAOYSA-N | C(C(C(=O)O)N)N | 2004-09-16 | 2,3-diaminopropanoic acid|2,3-diaminopropionic acid|515-94-6|3-Aminoalanine|DL-2,3-diaminopropionic acid|DL-3-Aminoalanine|beta-Aminoalanine|Alanine, 3-amino-|2-Amino-beta-alanine|2,3-diaminopropionate|alpha,beta-Diaminopropionic acid|CHEBI:18383|beta-Alanine, 2-amino-|8908T5BN6R|2,3-DIAMINOPROPIONOIC ACID|MFCD00044531... | 2,3-diaminopropionic acid | 364 |
4-Methylumbelliferyl acetate | (4-methyl-2-oxochromen-7-yl) acetate | InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3 | HXVZGASCDAGAPS-UHFFFAOYSA-N | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C | 2004-09-16 | 7-Acetoxy-4-methylcoumarin|4-methylumbelliferyl acetate|2747-05-9|4-Methyl-2-oxo-2H-chromen-7-yl acetate|2H-1-Benzopyran-2-one, 7-(acetyloxy)-4-methyl-|(4-methyl-2-oxochromen-7-yl) acetate|beta-Methylumbelliferyl acetate|7-(Acetyloxy)-4-methyl-2-benzopyrone|Hymecromone Acetate|MFCD00006865|4-methyl-7-acetyloxy coumarin... | 4-methylumbelliferyl acetate | 366 |
sym-Homospermidine | N'-(4-aminobutyl)butane-1,4-diamine | InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2 | UODZHRGDSPLRMD-UHFFFAOYSA-N | C(CCNCCCCN)CN | 2004-09-16 | sym-homospermidine|4427-76-3|bis(4-aminobutyl)amine|Homospermidine|1,4-Butanediamine, N-(4-aminobutyl)-|1,6,11-triazaundecane|N-(4-aminobutyl)-1,4-butanediamine|N1-(4-aminobutyl)butane-1,4-diamine|N-(4-aminobutyl)butane-1,4-diamine|N'-(4-aminobutyl)butane-1,4-diamine|0IJ25X1H4R|CHEBI:16554|4,4'-Diaminodibutylamine|1,9-... | sym-homospermidine | 368 |
Gallic Acid | 3,4,5-trihydroxybenzoic acid | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) | LNTHITQWFMADLM-UHFFFAOYSA-N | C1=C(C=C(C(=C1O)O)O)C(=O)O | 2004-09-16 | Gallic acid|149-91-7|3,4,5-Trihydroxybenzoic acid|gallate|Benzoic acid, 3,4,5-trihydroxy-|Gallic acid, tech.|Kyselina gallova|Pyrogallol-5-carboxylic acid|GALOP|HSDB 2117|GALLIC ACID ANHYDROUS|MFCD00002510|CCRIS 5523|3,4,5-Trihydroxybenzoate|NSC 674319|CHEBI:30778|Kyselina 3,4,5-trihydroxybenzoova|AI3-16412|EINECS 205-... | Gallic Acid | 370 |
2-Butynedioic acid | but-2-ynedioic acid | InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8) | YTIVTFGABIZHHX-UHFFFAOYSA-N | C(#CC(=O)O)C(=O)O | 2004-09-16 | acetylenedicarboxylic acid|142-45-0|but-2-ynedioic acid|2-butynedioic acid|Butynedioic acid|2-Butyne-1,4-dioic acid|Acetylendicarboxylate|2D2OJ4KO44|CHEBI:30781|NSC 1903|NSC-1903|EINECS 205-536-0|acetylene dicarboxylic acid|NSC-631597|DTXSID3059715|Acetylenedicarboxylic acid (8CI)|NSC631597|Acetylenedicarboxylicacid|2-... | 2-butynedioic acid | 371 |
2-oxo-2H-pyran-4,6-dicarboxylic acid | 6-oxopyran-2,4-dicarboxylic acid | InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12) | VRMXCPVFSJVVCA-UHFFFAOYSA-N | C1=C(C=C(OC1=O)C(=O)O)C(=O)O | 2004-09-16 | 2-oxo-2H-pyran-4,6-dicarboxylic acid|72698-24-9|6-oxopyran-2,4-dicarboxylic acid|2-pyrone-4,6-dicarboxylic acid|2H-Pyran-4,6-dicarboxylic acid, 2-oxo-|alpha-pyrone-4,6-dicarboxylic acid|C03671|pyrone-4,6-dicarboxylic acid|SCHEMBL1843937|CHEBI:17872|DTXSID50222997|2-oxo-2H-pyran-4,6-dicarboxylicacid|6-Oxo-6H-pyran-2,4-d... | alpha-pyrone-4,6-dicarboxylic acid | 372 |
3-Hydroxy-5-oxohexanoic acid | 3-hydroxy-5-oxohexanoic acid | InChI=1S/C6H10O4/c1-4(7)2-5(8)3-6(9)10/h5,8H,2-3H2,1H3,(H,9,10) | APWDZEIBFNZVND-UHFFFAOYSA-N | CC(=O)CC(CC(=O)O)O | 2005-06-23 | 3-Hydroxy-5-oxohexanoic acid|3-Hydroxy-5-ketohexanoic acid|109138-72-9|CHEBI:37032|Hexanoic acid, 3-hydroxy-5-oxo-|SCHEMBL2592557|Q27117016 | 3-hydroxy-5-oxohexanoic acid | 376 |
4-Nitrophenyl Phosphate | (4-nitrophenyl) dihydrogen phosphate | InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12) | XZKIHKMTEMTJQX-UHFFFAOYSA-N | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O | 2004-09-16 | 4-nitrophenyl phosphate|330-13-2|4-Nitrophenyl dihydrogen phosphate|p-nitrophenyl phosphate|Nitrophenylphosphate|Phosphoric acid, mono(4-nitrophenyl) ester|p-Nitrophenol phosphate|(4-nitrophenyl) dihydrogen phosphate|p-Nitrophenyl dihydrogen phosphate|PNNP|PNPP|p-Nitrophenylphosphate|Phenol, p-nitro-, dihydrogen phosph... | nitrophenylphosphate | 378 |
Octanoic Acid | octanoic acid | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) | WWZKQHOCKIZLMA-UHFFFAOYSA-N | CCCCCCCC(=O)O | 2004-09-16 | octanoic acid|caprylic acid|124-07-2|n-octanoic acid|Octylic acid|n-caprylic acid|octoic acid|n-octylic acid|n-Octoic acid|1-heptanecarboxylic acid|Enantic acid|Octic acid|C-8 acid|Caprylsaeure|Acido octanoico|Acide octanoique|Kaprylsaeure|Hexacid 898|FEMA No. 2799|Acidum octanocium|Kyselina kaprylova|Octansaeure|1-oct... | octanoic acid | 379 |
capryloyl-CoA | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octanethioate | InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44) | KQMZYOXOBSXMII-UHFFFAOYSA-N | CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | 2005-03-25 | octanoyl-coenzyme A|capryloyl-CoA|1264-52-4|324518-20-9|SCHEMBL11940279|DTXSID50862615|c0048|NO159027|G85490|Q3348796|S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} octaneth... | octanoyl-coenzyme A | 380 |
Pimelic Acid | heptanedioic acid | InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) | WLJVNTCWHIRURA-UHFFFAOYSA-N | C(CCC(=O)O)CCC(=O)O | 2004-09-16 | pimelic acid|Heptanedioic acid|111-16-0|1,5-Pentanedicarboxylic acid|Pileric acid|Heptandioic acid|Heptane-1,7-dioic acid|pimelate|6-carboxyhexanoate|6-carboxyhexanoic acid|1,7-Heptanedioic acid|EINECS 203-840-8|BZQ96WX25F|NSC 30112|BRN 1210024|DTXSID5021598|CHEBI:30531|MFCD00004425|NSC-30112|PIMELIC ACID [MI]|DTXCID00... | Pimelic Acids | 385 |
Malyl-coenzyme A | 4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-hydroxy-4-oxobutanoic acid | InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43) | HJQWLHMLMCDAEL-UHFFFAOYSA-N | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C(=O)O)O)O | 2005-06-23 | Malyl-coenzyme A|Coenzyme A, malyl-|2043-93-8|4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-hydroxy-4-oxobutanoic acid|malyl-CoA|Coenzyme A, S-(3-carboxy-3-hydroxypropanoat... | malyl-coenzyme A | 388 |
DL-ornithine | 2,5-diaminopentanoic acid | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) | AHLPHDHHMVZTML-UHFFFAOYSA-N | C(CC(C(=O)O)N)CN | 2004-09-16 | DL-Ornithine|2,5-Diaminopentanoic acid|616-07-9|Ornithine, DL-|Ornithine DL-form|L-Ornithine-[2,3-3H]|(+/-)-Ornithine|2,5-Diaminovaleric acid|128551-39-3|UNII-2381769MQC|(RS)-ORNITHINE|EINECS 210-463-2|2381769MQC|ORNITHINE DL-FORM [MI]|CHEBI:18257|2,5-Diaminopentanoate|NSC118360|DTXSID00860383|MFCD00242584|NCGC00183365... | Ornithine | 389 |
6-[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | 6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26) | HDYANYHVCAPMJV-UHFFFAOYSA-N | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O | 2005-06-23 | 2616-64-0|(2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXY-3,4,5-TRIHYDROXY-OXANE-2-CARBOXYLIC|SCHEMBL2787208|DTXSID50863001|HDYANYHVCAPMJV-UHFFFAOYSA-N|BCP29224|6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]metho... | Uridine Diphosphate Glucuronic Acid | 390 |
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