formula stringlengths 1 139 | smiles stringlengths 1 1.53k |
|---|---|
C47H82O | C=C(CCCCCCCCCCCCCCC)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C)C(=C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C |
C22H22O5 | COC1=CC(C(=O)CC(=O)C2=CC=CC=C2)=C(OC)C2=C1OC(C)(C)C=C2 |
C19H25NO7 | CC(=O)N[C@H]1[C@@H](OCC2=CC=CC=C2)O[C@H](C)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
C17H10O6 | COC1=CC=CC2=C1C(O)=C1OC(=O)C3=C1C2=C1OCOC1=C3 |
C42H67N3O9 | CCCCCC[C@@H]1CO[C@@H]([C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)C4=C(NC[C@H](C)O)C(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(CCC5=CC=C(N)N=C5)[C@H]4CC[C@]23C)[C@H]1CO |
C9H14O4 | CCC[C@H](O)C1=C(C)[C@H](O)OC1=O |
C34H44N4O9S2 | CC(C)(O)[C@@H]1CC2=C(O1)C1=C3OC(=C(CC4=CC=C(NO)C=C4)C(=O)C3=C2OC2CCCC2)[C@@H](O)C[C@@](CO)(N=C(N)N)CSS[C@H]1CO |
C27H43NO2 | C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3CN2C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](O)C5 |
C23H31ClN4O2S | CN(CCC1=CC=CC=N1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)C1=CC=C(Cl)C=C1 |
C8H5NO6 | O=C(O)C1=CC=C(C(=O)O[N+](=O)[O-])C=C1 |
C24H28N2O3 | COC1=CC=C(/C=C/[C@]23NC(=O)CCN2C2=CC=C(C)C=C2C3(C)C)C(OC)=C1 |
C21H34OS | C[C@@H]1C[C@@]2(C)C(CCC3C2CC[C@]2(C)C(O)CCC32)C[C@]12CS2 |
C20H24O4 | COC1=CC([C@H]2C3=CC(O)=C(OC)C=C3C[C@@H](C)[C@H]2C)=CC=C1O |
C14H13NO5 | CC(=O)C1=C(O)C(=O)N(CC(=O)O)[C@@H]1C1=CC=CC=C1 |
C21H22O6 | C=CCC1=C(O)C(OC)=CC2=C1O[C@H](C1=CC(OC)=C3OCOC3=C1)[C@H]2C |
C60H116O6 | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C |
C50H97NO11 | CCCCC/C=C/CCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCC |
C51H82O23 | C[C@H]1CC[C@@]2(OC1)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
C25H48NO7P | CCCCCC=CCC=CCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN |
C22H14O10 | O=C(O)C1=CC=C(OC2=CC=CC(OC3=CC=C(C(=O)O)C(C(=O)O)=C3)=C2)C=C1C(=O)O |
C30H36O7 | CC(=O)[C@H]1CCC(=O)[C@]1(C)[C@@H](C[C@H]1C(=O)C=C[C@]2(O)C[C@@H](O)CC[C@]12C)OC(=O)/C=C\C1=CC=CC=C1 |
C56H92N8O12 | CNC(=N)NCCNC[C@H](C[C@@H](C1=CNC=N1)[C@H]1NC(=O)C2(CCCC2)[C@@H]1C[C@@H]1[C@@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(CO)[C@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C(=O)O)CC[C@]43C)[C@@]12C)[C@@H](N)O |
C50H82O22 | C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
C17H19NO3 | CN1CC[C@]23C4=C5C=CC(O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 |
C22H33NO4 | C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1[N@+]([O-])(CC)C5)[C@H]3[C@H]2O |
C35H46N4O7 | C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](C2=CC=C(O)C=C2)NC(=O)[C@@H](CC(=O)C2=CC=CC=C2N)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 |
C19H20N4O2 | COC1=CC2=C(C=C1OC)C1=NN=C(C3=CC=CN=C3)N1C(C)(C)C2 |
C36H50O14 | CC(=O)OCC1=C/[C@@H]2OC(=O)[C@H](C)[C@]2(O)[C@@H](OC(C)=O)[C@H]2[C@@]3(CO3)[C@H](OC(=O)CC(C)C)C[C@H](OC(=O)CC(C)C)[C@]2(C)[C@@H](OC(C)=O)\C=C\1 |
C47H90O6 | CCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C |
C39H40N2O8 | COC1=CC(CCC(=O)[C@H](CC2=CC=NC(NC3=CC=C4C=C(O)C=CC4=C3)=C2)[C@H](O)CCC2=CC=C(O)C3=C2CCCO3)=CC(O)=C1O |
C29H35NO5 | C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23OC(=O)C=CC(=O)CCC[C@@H](C)CC=C[C@@H]3[C@@H]1O |
C24H23NO3 | C[C@@H]1[C@H](C2=CC=CC=C2)O[C@H](C2=CC=CC=C2OC(=O)C2=CC=CC=C2)N1C |
C48H78O20 | C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O |
C21H18O5 | COC1=CC=C(C2=C(C)C3=CC(OC(=O)C4CC4)=CC=C3OC2=O)C=C1 |
C16H16N3O2 | CC1=[N+](C)C2=CC=CC=C2N1CC1=CC=CC=C1[N+](=O)[O-] |
C17H28O6 | C=C1[C@@H](OC(C)=O)CC[C@]2(C)CC[C@@H](C(O)(CO)CO)C[C@@]12O |
C22H34O2 | CC(C)[C@H]1CC[C@@H](C)/C(=C\C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O |
C46H63NO12S2 | CCOC(=O)CCC1=C2OC34C=C[C@H]5SSC6(CCCCC6)[C@H](CC[C@H](C)CCC[C@H](O)[C@@]5(O3)[C@]3(O)C[C@@H]5C=C[C@@H](O)[C@@H](CO)[C@H]5C4(O)[C@H]3O)NCCOC2=C2OC=CC2=C1 |
C30H28O11 | O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=CC=C(/C=C/C(=O)C3=CC=C(O)C=C3O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
C19H22O6 | C=C(C)C(=O)O[C@H]1C/C(C)=C/C(=O)/C=C(/C)[C@@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 |
C20H26O6 | C=C1[C@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2C[C@@H]4OC5O[C@@H](O)[C@H](C4(C)C)[C@@]523)[C@@H]1O |
C38H43N2O7 | COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=CC(=C(OC)C=C3CCN1C)OC1=C(OC)C(OC)=CC3=C1[C@H](C2)[N@@+](C)(O)CC3 |
C73H82N4O12 | C/C=C(\C(=O)O[C@@H]1CC2=C3O[C@@]1(C)[C@H]1CC4=C(CC[C@H]1[C@@H]1CCC5=CC=C(O)C=C5[C@@H](CO)[C@@H](C5=CC=NC(N)=C51)C3=C1OC(CO)=CC(=O)C1=C2O)C1=C(N=C4)N[C@H](C)C=C1)[C@]1(O)C[C@@H]2C3=CC=CC4=C3[C@]3(CC[C@@H]2[C@@H]1C3)C[C@@H](C[C@H](O)CC(C)C)[C@@H]4O |
C20H30O15 | OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3OC=C[C@]4(O)[C@H]3[C@H]3O[C@H]3[C@H]4O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
C24H30O14 | C=C[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CCOC(=O)C1=CC(O)=C(O)C(O)=C1 |
C14H18N2O2 | CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC1=O |
C20H20N4O3 | O=C(O)C1=CC=C(CN2CCOC[C@H]2C2=NC(C3=CC=NC=C3)=CN2)C=C1 |
C55H106O6 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C |
C21H28O9 | C=C1C(=O)O[C@@H]2CC(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CCC/C(C)=C/C[C@H]12 |
C73H91N3O5 | CC1CC2=C3[C@H]4C5=C6[C@@H]7C[C@]14CC/C7=C/[C@@H](C1CCCCC1)C[C@H]1[C@]64C(=O)O/C(=C(/O)C[C@@H]6[C@H]7CC8(CCCC8)[C@]8(CCC[C@]89CCC[C@@H]9C#CC[C@@H]8[C@@H]9C[C@H](CN86)[C@H](CC2)N3C9)C7)[C@@]4(CC5)[C@]12OC(=O)C1=C(CCCN)C=CC=C12 |
C36H46O9 | CC(C)CC[C@]1(C)O[C@H]2[C@@H]3C(=O)OC[C@]24[C@H]2[C@@H](CC35CCCC5)C[C@@]3(C)[C@H](C5=COC=C5)OC(=O)[C@H]5O[C@]53[C@]2(C)[C@H](O)C(=O)[C@@H]41 |
C43H44O9 | C=C1[C@@H](OC(=O)C2=CC=CC=C2)CC[C@@]2(C)[C@@H](OC(=O)C3=CC=CC=C3)[C@H](OC(=O)C3=CC=CC=C3)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C |
C19H26N6O4 | NCC(=O)N1CCN(C(=O)NC2=CC=CC=C2)C[C@@H]1C(=O)N[C@H]1CCCNC1=O |
C24H28N2O5 | C/C=C1/CN(C)[C@H]2CC3=C(NC4=CC=CC=C34)C(=O)C[C@@H]1[C@@]2(COC(C)=O)C(=O)OC |
C48H56O28 | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/C1=CC=C(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C1 |
C41H72O15 | CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H](O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)C(=O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO |
C32H24O10 | COC1=CC(O)=C2C(=O)C=C(C3=CC=C(OC4=C(OC)C=C5O[C@H](C6=CC=C(O)C=C6)CC(=O)C5=C4O)C=C3)OC2=C1 |
C30H44O4 | CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC[C@H]4[C@]5(C)C(=O)O[C@@H]6C[C@@]4(C3=CC[C@@]21C)[C@@H](O)O[C@@H]65 |
C43H60O3 | CCCCCC1=CC([C@H]2CC3=CC=CC(=C3)C3(CCCCC3)[C@H](C(=O)O)CC=CC[C@@H]2CCCCCC[C@@H]2C=CCC2)=CC=C1O |
C16H18N4O4 | CC(=O)N[C@@H]1CO[C@@H]2[C@@H]1OC[C@@H]2NC1=NC=CC(C2=CC=CO2)=N1 |
C22H26N2O4 | C=C[C@H]1CN2CC[C@]3(C(=O)NC4=CC=CC=C43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC |
C26H31NO7 | COC1=C2C[C@@H](C(C)(C)O)OC2=C(C(C)C)C2=C1C(=O)C(CC1=CC=C(NO)C=C1)=C(CO)O2 |
C5H8N2O2 | C[C@H]1NC(=O)CNC1=O |
C7H11Br3O | CCCC[C@@H](Br)C(=O)C(Br)Br |
C13H19NO2S4 | COC1=C(OC)C2=C(SSS2)C(CCN(C)C)=C1SC |
C22H19O7 | COC1=CC=C([C]2[C]3[C](COC3=O)CC3=C2C=C2OCOC2=C3OC)C=C1OC |
C24H27NO6 | COC(=O)C1CCN(C(=O)CCC2=C(C)C3=CC4=C(C=C3OC2=O)OC(C)=C4C)CC1 |
C27H46O2 | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C |
C26H35NO7 | C[C@H]1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@]12CC1=C(O)C=C3C(=O)N([C@@H](CO)C(=O)O)CC3=C1O2 |
C19H17N5O7S3.Na | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSC(=O)C3=CC=CO3)CS[C@H]12)C1=CSC(N)=N1.[Na+] |
C20H24O5 | C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2/C=C(\C)C[C@@H]2C=C(CC[C@H]1O)C(=O)O2 |
C37H66O8 | CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@@H](O)CCCCCCCC[C@H](O)[C@H](O)CCC3=C[C@H](C)OC3=O)O2)O1 |
C21H34O7 | C=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2C1 |
C15H20O4 | C=C1C(=O)O[C@@]23[C@@H](C)[C@@H](O)C[C@H]2[C@]2(C)C[C@@H]2[C@@H]1[C@@H]3O |
C35H64O7 | CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]([C@@H](O)CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O1 |
C17H16N2O4 | COC1=CC=C2NC=C(CCN3C=C(C(=O)O)C=CC3=O)C2=C1 |
C15H20N2O2 | O=C1C=CC=C2[C@H]3C[C@@H](CN21)[C@H]1C[C@@H](O)CCN1C3 |
C24H18N2O6 | O=C(C1=CC2=CC=CC=C2OC1=O)N1CCN(C(=O)C2=CC3=CC=CC=C3OC2=O)CC1 |
C42H66O13 | COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)C2(C)C)[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
C30H50O | CC(C)[C@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]12 |
C9H12N2O2 | CC1=CCN([C@H]2CCC(=O)N2)C1=O |
C42H32O9 | OC1=CC=C(C2=C(C3=CC(O)=CC(O)=C3)[C@H](C3=CC=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@@H]3[C@H](C4=CC=C(O)C=C4)C4=C(O)C=C(O)C=C4[C@@H]23)C=C1 |
C48H65N9O13 | C/C=C(\C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)NCCO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](C)C(=O)O[C@@H]1C |
C10H14O2 | CC1=C(C[C@H]2OC2(C)C)OC=C1 |
C31H48O4 | C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(C)C |
C22H38O4 | CC(=O)O[C@]1(C)CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O |
C23H20O9 | O=C1C=C(C2=CC=CC(O[C@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)=C2)OC2=C1C=CC1=C2C=CO1 |
C41H59NO7 | CNCC1=C[C@H]2C[C@@]3(O)[C@]4(CCCC[C@@]15OC(=O)C=C5[C@@H]24)CC[C@H]1[C@@]3(O)C[C@H]2C[C@H]([C@@H](C)C3CCCC3)CC[C@H]3[C@@H](O)CC[C@@]1(C=O)[C@]23O |
C15H14N2O3 | COC1=CC=C2N=C3C=C(OC)C(OC)=CC3=NC2=C1 |
C15H22N4O4 | NC(=O)CN1C(=O)[C@@H]2CN(C(=O)C3CCCCC3)CCN2C1=O |
C10H20N2O2 | COC(=O)[C@@H](N)CCN1CCCCC1 |
C21H20NO4 | COC1=CC2=C3C(=CC=C(C)C4=C3OC(C)=C4)[N+](C(C)=O)=C2C=C1OC |
C38H50N2O10 | CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](C3=C(C[C@H](CO)[C@H]4C=C[C@H]([C@H]5CNCN5)CC4)OC=C3)OC(=O)[C@H]3O[C@@]312 |
C15H18O4 | C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H]4CC(=O)[C@@]3(CO4)C[C@H]12 |
C41H44N2O10S2 | O=C1C2=CC=CC3=C2C(=O)[C@]2(CSSCNC4=CC(=CC=N4)C4(CCCC4)C[C@]4(O)[C@H](O)[C@@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(CC3=CC=CC(CO)=C3)=C[C@H]12 |
C19H32N2O4 | O=C1C[C@H](CCCO)C[C@@H]2[C@H]3CCCN4CCC[C@@H]([C@@H]34)[C@H](C(O)O)N12 |
C33H45NO7 | CCN1CC2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](OC(=O)C7=CC=C(OC)C=C7)[C@H]5C(=C[C@@H](O[C@@H]13)[C@]24C)C[C@@H]6OC |
C38H50N4O5 | CN/C1=N/CC#C[C@@H]2C[C@@H](C)[C@@]34C[C@](O)([C@@H]5CC[C@H]6CC[C@@H]7C=CC=C[C@@H]7[C@H]6O5)C(C(=O)O)=C3C[C@@H]2[C@@]42CN1C=C[C@@H]2CNCCO |
C65H81N3O5 | CC1CC2=C3[C@H]4C5=C6[C@@H]7C[C@]14CC/C7=C/[C@@H](C1CCCCC1)C[C@H]1[C@]64C(=O)O/C(=C(/O)C[C@@H]([C@H]6C[C@@H]7C=C[C@H]8CCC[C@]8(C7)C6)[N@@]6C[C@H]7C[C@@H](C6)[C@@H](CC2)N3C7)[C@@]4(CC5)[C@]12OC(=O)C1=C(CCCN)C=CC=C12 |
C67H108O31 | C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@]45C)C3(C)C)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O[C@H]2OC[C@H](O)[C@@H](O[C@H]3O[C@H](C)[C@@H](O[C@H]4OC[C@H](O)[C@@H](O[C@H]5OC[C@H](O[C@H]6OC[C@@H](O)[C@H](O)[C@@H]6O)[C@@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H]1O |
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