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CHEBI:172666 - Taraxinic acid glucosyl ester

ChEBI IDCHEBI:172666
ChEBI NameTaraxinic acid glucosyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O9
Net Charge0
Average Mass424.446
Monoisotopic Mass424.17333
SMILESC=C1C(=O)OC2/C=C(/C)CC/C=C(/C(=O)OC3OC(CO)C(O)C(O)C3O)CCC12
InChIInChI=1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,13-18,21-25H,2-4,6-7,9H2,1H3/b10-8-,12-5+
InChIKeySIOXYUXOHTZOOM-INAGUISBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Taraxinic acid glucosyl ester (CHEBI:172666) is a germacranolide (CHEBI:73011)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (6E,10Z)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-6-carboxylate
Manual XrefsDatabases
HMDB0035249HMDB