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CHEBI:172746 - 22-Angeloylbarringtogenol C

Default Structure
ChEBI IDCHEBI:172746
ChEBI Name22-Angeloylbarringtogenol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O6
Net Charge0
Average Mass572.827
Monoisotopic Mass572.40769
SMILESC/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO
InChIInChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)30(3,4)17-22-21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(38)35(22,28)19-36/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10-
InChIKeyUBLRZFCEDOUFPK-JMIUGGIZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
22-Angeloylbarringtogenol C (CHEBI:172746) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[3,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
35013501ChemSpider
HMDB0032835HMDB