CHEBI:168628 - Ganoderic acid L

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ganoderic acid L
ChEBI ID CHEBI:168628
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O8
Net Charge 0
Average Mass 534.690
Monoisotopic Mass 534.31927
InChI InChI=1S/C30H46O8/c1-15(25(36)37)10-16(31)13-29(6,38)20-12-22(35)30(7)24-17(32)11-19-26(2,3)21(34)8-9-27(19,4)23(24)18(33)14-28(20,30)5/h15,17,19-22,32,34-35,38H,8-14H2,1-7H3,(H,36,37)/t15?,17-,19-,20-,21-,22-,27-,28+,29?,30-/m0/s1
InChIKey RZBILUATLYXZLI-OTORYQFISA-N
SMILES O[C@@H]1[C@@]2([C@@]([C@](C1)(C(O)(CC(=O)CC(C)C(O)=O)C)[H])(CC(=O)C=3[C@@]4([C@](C([C@@H](O)CC4)(C)C)(C[C@H](O)C23)[H])C)C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Ganoderic acid L (CHEBI:168628) is a triterpenoid (CHEBI:36615)
IUPAC Name
6-hydroxy-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17S)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Manual Xref Database
68026988 ChemSpider
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