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CHEBI:168628 - Ganoderic acid L

Default Structure
ChEBI IDCHEBI:168628
ChEBI NameGanoderic acid L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O8
Net Charge0
Average Mass534.690
Monoisotopic Mass534.31927
SMILES[H][C@@]12C[C@H](O)C3=C(C(=O)C[C@@]4(C)[C@@]3(C)[C@@H](O)C[C@]4([H])C(C)(O)CC(=O)CC(C)C(=O)O)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=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
InChIKeyRZBILUATLYXZLI-OTORYQFISA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
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
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