Summary

Molecular formula: C30H46O6
SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)C[C@@H](O)C1=C2C(=O)C[C@@H]2[C@]1(C)[C@H](O)C[C@@H]([C@]2(C)C(=O)O)O)C)C)C
InChI: InChI=1S/C30H46O6/c1-16(2)9-8-10-17(3)18-11-12-27(4)24-19(31)13-21-29(6,25(24)20(32)15-28(18,27)5)22(33)14-23(34)30(21,7)26(35)36/h9,17-18,20-23,32-34H,8,10-15H2,1-7H3,(H,35,36)/t17-,18-,20-,21-,22-,23+,27+,28-,29-,30-/m1/s1
InChIKey: KDPKGPAHQJHMQT-SYGGIMJSSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2

Scaffold Graph/Node level:
OC1CC2CCCCC2C2CCC3CCCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CCC3CCCC3C12

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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:
fomitellic acid a

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External chemical identifiers:
CID_44566511; NPATLAS_NPA015754; CHEMSPIDER_10229294; ZINC_ZINC000044387954

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Chemical structure download