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CHEBI:192000 - Methyl 3-oxo-12-oleanen-28-oate

Default Structure
ChEBI IDCHEBI:192000
ChEBI NameMethyl 3-oxo-12-oleanen-28-oate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O3
Net Charge0
Average Mass468.722
Monoisotopic Mass468.36035
SMILESCOC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(C)CC2
InChIInChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3
InChIKeyPPMUFCXCVKVCSV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Methyl 3-oxo-12-oleanen-28-oate (CHEBI:192000) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
Manual XrefsDatabases
529488ChemSpider
HMDB0035270HMDB