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CHEBI:191468 - 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide

ChEBI IDCHEBI:191468
ChEBI Name3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O14
Net Charge0
Average Mass536.442
Monoisotopic Mass536.11661
SMILESCOc1ccc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)cc1OC
InChIInChI=1S/C24H24O14/c1-33-9-5-4-8(6-10(9)34-2)20-21(37-24-19(30)17(28)18(29)22(38-24)23(31)32)16(27)13-11(36-20)7-12(35-3)14(25)15(13)26/h4-7,17-19,22,24-26,28-30H,1-3H3,(H,31,32)
InChIKeyLURNGPWLQCDCBE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide (CHEBI:191468) is a flavonoids (CHEBI:72544)
3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide (CHEBI:191468) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0038264HMDB