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CHEBI:169868 - 3,4,5-trihydroxy-6-[(6-hydroxy-5-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:169868
ChEBI Name3,4,5-trihydroxy-6-[(6-hydroxy-5-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O11
Net Charge0
Average Mass460.391
Monoisotopic Mass460.10056
SMILESCOc1c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C22H20O11/c1-30-19-14-10(23)7-11(9-5-3-2-4-6-9)31-12(14)8-13(15(19)24)32-22-18(27)16(25)17(26)20(33-22)21(28)29/h2-8,16-18,20,22,24-27H,1H3,(H,28,29)
InChIKeyGFMKVDHCSVIZIO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[(6-hydroxy-5-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]oxane-2-carboxylic acid (CHEBI:169868) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-[(6-hydroxy-5-methoxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]oxane-2-carboxylic acid (CHEBI:169868) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-(6-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128610HMDB