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CHEBI:168651 - Methyl 3b,24-dihydroxy-11,13(18)-oleanadien-30-oate

Default Structure
ChEBI IDCHEBI:168651
ChEBI NameMethyl 3b,24-dihydroxy-11,13(18)-oleanadien-30-oate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O4
Net Charge0
Average Mass484.721
Monoisotopic Mass484.35526
SMILESCOC(=O)C1(C)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(O)C(C)(CO)C2CCC13C
InChIInChI=1S/C31H48O4/c1-26-14-15-27(2,25(34)35-7)18-21(26)20-8-9-23-28(3)12-11-24(33)29(4,19-32)22(28)10-13-31(23,6)30(20,5)17-16-26/h8-9,22-24,32-33H,10-19H2,1-7H3
InChIKeyYAXQAGGRDUKRGH-UHFFFAOYSA-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)
Methyl 3b,24-dihydroxy-11,13(18)-oleanadien-30-oate (CHEBI:168651) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylate
Manual XrefsDatabases
35013885ChemSpider
HMDB0035257HMDB