EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172763 - Avenestergenin B2

Default Structure
ChEBI IDCHEBI:172763
ChEBI NameAvenestergenin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H52O6
Net Charge0
Average Mass592.817
Monoisotopic Mass592.37639
SMILESCC1(C=O)CC2C3C(=O)CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C)CC1OC(=O)c1ccccc1
InChIInChI=1S/C37H52O6/c1-32(2)25-13-16-36(6)26(34(25,4)15-14-27(32)40)17-24(39)30-23-18-33(3,21-38)29(43-31(42)22-11-9-8-10-12-22)20-35(23,5)28(41)19-37(30,36)7/h8-12,21,23,25-30,40-41H,13-20H2,1-7H3
InChIKeyGQOZPIAGDDOAGV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Avenestergenin B2 (CHEBI:172763) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2-ormyl-5,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,6a,7,8,8a,10,11,12,13,14a,14b-tetradecahydro-1H-picen-3-yl) benzoate
Manual XrefsDatabases
35013891ChemSpider
HMDB0035266HMDB