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CHEBI:190104 - Gomphrenol 3-methylether 4'-glucuronide

ChEBI IDCHEBI:190104
ChEBI NameGomphrenol 3-methylether 4'-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O13
Net Charge0
Average Mass504.400
Monoisotopic Mass504.09039
SMILESCOc1c(-c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)oc2cc3c(c(O)c2c1=O)OCO3
InChIInChI=1S/C23H20O13/c1-31-20-14(25)12-10(6-11-19(13(12)24)33-7-32-11)35-18(20)8-2-4-9(5-3-8)34-23-17(28)15(26)16(27)21(36-23)22(29)30/h2-6,15-17,21,23-24,26-28H,7H2,1H3,(H,29,30)
InChIKeyQZRLCSNTKHSVAP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Gomphrenol 3-methylether 4'-glucuronide (CHEBI:190104) is a flavonoids (CHEBI:72544)
Gomphrenol 3-methylether 4'-glucuronide (CHEBI:190104) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
3,4,5-trihydroxy-6-[4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0038069HMDB