Secondary metabolite: Australic acid Summary Molecular formula: C32H42O7
SMILES: OC(=O)CC[C@@]1(C)[C@@H](C[C@@H]2[C@]3(C1=CC(=O)[C@]1([C@@]3(C)[C@H](C[C@@H]1/C(=C[C@H]1C[C@H](C(=O)O1)C)/C)C(=O)C)C)O2)C(=C)C InChI: InChI=1S/C32H42O7/c1-16(2)21-14-26-32(39-26)24(29(21,6)10-9-27(35)36)15-25(34)30(7)22(13-23(19(5)33)31(30,32)8)17(3)11-20-12-18(4)28(37)38-20/h11,15,18,20-23,26H,1,9-10,12-14H2,2-8H3,(H,35,36)/b17-11-/t18-,20+,21+,22-,23-,26-,29+,30+,31-,32+/m1/s1 InChIKey: DDMDFQFSDBWUKJ-UKDIAUJWSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level: O=C1CCC(C=CC2CCC3C2C(=O)C=C2CCCC4OC243)O1
Scaffold Graph/Node level: OC1CCC(CCC2CCC3C2C(O)CC2CCCC4OC243)O1
Scaffold Graph level: CC1CCC(CCC2CCC3C2C(C)CC2CCCC4CC243)C1
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names: australic acid
External chemical identifiers: CID_101761156 Chemical structure download
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