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CHEBI:190344 - 3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid

Default Structure
ChEBI IDCHEBI:190344
ChEBI Name3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILESCC1(C(=O)O)CCC2(C)CCC3(C)C(=CC=C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
InChIInChI=1S/C30H46O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7-8,20-21,23,31-32H,9-18H2,1-6H3,(H,33,34)
InChIKeyDHANXHHFIWKYCW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
3beta-3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid (CHEBI:190344) is a triterpenoid (CHEBI:36615)
IUPAC Name 
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-2-carboxylic acid
Manual XrefsDatabases
35013883ChemSpider
HMDB0035252HMDB