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CHEBI:190004 - (3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid

ChEBI IDCHEBI:190004
ChEBI Name(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O6
Net Charge0
Average Mass504.708
Monoisotopic Mass504.34509
SMILESCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(CO)(CO)C5CCC43C)C2C1O
InChIInChI=1S/C30H48O6/c1-25(2)12-14-29(24(35)36)15-13-27(4)18(22(29)23(25)34)6-7-19-26(3)10-9-21(33)30(16-31,17-32)20(26)8-11-28(19,27)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)
InChIKeySWKIMTSJFCDAEL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
(3beta,19alpha)-3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid (CHEBI:190004) is a triterpenoid (CHEBI:36615)
IUPAC Name 
1,10-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Manual XrefsDatabases
HMDB0040784HMDB
35015026ChemSpider