Summary

Molecular formula: C51H72O8
SMILES: OC/C(=C/CC/C(=C/CC/C(=C/C(=O)c1cc(O)ccc1O)/C(=O)CC([C@H](CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)O)(O)C)/C)/C
InChI: InChI=1S/C51H72O8/c1-32(12-10-14-33(2)31-52)13-11-15-35(28-42(55)37-29-36(53)17-19-41(37)54)43(56)30-51(9,59)46(58)21-16-34(3)38-22-26-50(8)40-18-20-44-47(4,5)45(57)24-25-48(44,6)39(40)23-27-49(38,50)7/h13-14,17-19,23,28-29,34,38,44,46,52-54,58-59H,10-12,15-16,20-22,24-27,30-31H2,1-9H3/b32-13+,33-14+,35-28-/t34-,38-,44+,46+,48-,49-,50+,51?/m1/s1
InChIKey: YKLCOIFQEOWKNT-NLLIPGBMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=CC(=O)c1ccccc1)CCCCCCC1CCC2C3=CCC4CC(=O)CCC4C3=CCC12

Scaffold Graph/Node level:
OC(CCCCCCC1CCC2C1CCC1C3CCC(O)CC3CCC21)CCC(O)C1CCCCC1

Scaffold Graph level:
CC(CCCCCCC1CCC2C1CCC1C3CCC(C)CC3CCC21)CCC(C)C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
ganosinensin a

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External chemical identifiers:
CID_101476515; NPATLAS_NPA008782; CHEMSPIDER_28286388

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Chemical structure download