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CHEBI:190341 - 23-Hydroxy-3-oxocycloart-24-en-26-oic acid

Default Structure
ChEBI IDCHEBI:190341
ChEBI Name23-Hydroxy-3-oxocycloart-24-en-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILESC/C(=C/C(O)CC(C)C1CCC2(C)C3CCC4C(C)(C)C(=O)CCC45CC35CCC12C)C(=O)O
InChIInChI=1S/C30H46O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,20-23,31H,7-15,17H2,1-6H3,(H,33,34)/b19-16-
InChIKeyWQMAGDSBYCIARL-MNDPQUGUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
23-Hydroxy-3-oxocycloart-24-en-26-oic acid (CHEBI:190341) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z)-4-hydroxy-2-methyl-6-(7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-2-enoic acid
Manual XrefsDatabases
HMDB0034568HMDB