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CHEBI:177120 - Ganoderol A

Default Structure
ChEBI IDCHEBI:177120
ChEBI NameGanoderol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O2
Net Charge0
Average Mass438.696
Monoisotopic Mass438.34978
SMILES[H][C@@]12CC=C3C(=CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)CC/C=C(\C)CO)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C30H46O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25,31H,8,10,12-13,15-19H2,1-7H3/b20-9+/t21-,22-,25+,28-,29-,30+/m1/s1
InChIKeyQWFPQDGDUOGOJF-SPFFTVLFSA-N
Species of MetaboliteComponentSourceComments
Bos grunniens (ncbitaxon:30521) subcutaneous adipose tissue (BTO:0004042) Article
ChEBI Ontology
Outgoing Relation(s)
Ganoderol A (CHEBI:177120) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
10404029ChemSpider