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CHEBI:173123 - Ganoderic acid I

Default Structure
ChEBI IDCHEBI:173123
ChEBI NameGanoderic acid I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O8
Net Charge0
Average Mass532.674
Monoisotopic Mass532.30362
SMILES[H][C@@]12C[C@H](O)C3=C(C(=O)C[C@@]4(C)[C@@]3(C)C(=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/C30H44O8/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/h15,17,19-21,32,34,38H,8-14H2,1-7H3,(H,36,37)/t15?,17-,19-,20-,21-,27-,28+,29?,30-/m0/s1
InChIKeyZWMMEKXOLCCKLA-XDKAHJIMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1248/cpb.33.2628)
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Ganoderic acid I (CHEBI:173123) is a triterpenoid (CHEBI:36615)
IUPAC Names 
6-[(3S,5R,7S,10S,13R,14R,17S)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
6-hydroxy-2-methyl-4-oxo-6-[(3S,7S,12S,14R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
Manual XrefsDatabases
16737913ChemSpider