Summary

Molecular formula: C51H74O7
SMILES: OC[C@]([C@@H](OC(=O)/C(=CCc1cc(O)ccc1O)/CC/C=C(/CCC=C(C)C)C)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)C
InChI: InChI=1S/C51H74O7/c1-33(2)13-11-14-34(3)15-12-16-36(18-19-37-31-38(53)20-22-42(37)54)46(56)58-45(51(10,57)32-52)24-17-35(4)39-25-29-50(9)41-21-23-43-47(5,6)44(55)27-28-48(43,7)40(41)26-30-49(39,50)8/h13,15,18,20-22,26,31,35,39,43,45,52-54,57H,11-12,14,16-17,19,23-25,27-30,32H2,1-10H3/b34-15+,36-18-/t35-,39-,43+,45+,48-,49-,50+,51-/m1/s1
InChIKey: XTKNDUKCUUVUEV-WYQVCHQDSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CCC4C(CCCCOC(=O)C=CCc5ccccc5)CCC4C3=CCC2C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCC(CCCCOC(O)CCCC5CCCCC5)C4CCC23)C1

Scaffold Graph level:
CC(CCCCCC1CCC2C1CCC1C3CCC(C)CC3CCC21)CCCC1CCCCC1

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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:
ganoleuconin n

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External chemical identifiers:
CID_122182464; NPATLAS_NPA005073; CHEMSPIDER_59000648; ZINC_ZINC000473095821

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Chemical structure download