EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190086 - O-Methylganoderic acid O

Default Structure
ChEBI IDCHEBI:190086
ChEBI NameO-Methylganoderic acid O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56O9
Net Charge0
Average Mass644.846
Monoisotopic Mass644.39243
SMILESCOC1CC2C(C)(CCC(OC(C)=O)C2(C)C)C2=C1C1(C)C(OC(C)=O)CC(C(C)C(C/C=C(\C)C(=O)O)OC(C)=O)C1(C)CC2
InChIInChI=1S/C37H56O9/c1-20(33(41)42)12-13-27(44-22(3)38)21(2)26-18-31(46-24(5)40)37(10)32-25(14-17-36(26,37)9)35(8)16-15-30(45-23(4)39)34(6,7)29(35)19-28(32)43-11/h12,21,26-31H,13-19H2,1-11H3,(H,41,42)/b20-12+
InChIKeyGXKWNYCHKLAQPO-UDWIEESQSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
O-Methylganoderic acid O (CHEBI:190086) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E)-5-acetyloxy-6-(3,15-diacetyloxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Manual XrefsDatabases
74886444ChemSpider
HMDB0035978HMDB