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CHEBI:190785 - 3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:190785
ChEBI Name3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O14
Net Charge0
Average Mass508.388
Monoisotopic Mass508.08531
SMILESCOc1cc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C22H20O14/c1-33-9-4-6(19-16(28)14(26)11-10(34-19)5-7(23)12(24)13(11)25)2-3-8(9)35-22-18(30)15(27)17(29)20(36-22)21(31)32/h2-5,15,17-18,20,22-25,27-30H,1H3,(H,31,32)
InChIKeySNVVVRMUIYNYAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid (CHEBI:190785) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acid (CHEBI:190785) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
3,4,5-trihydroxy-6-[2-methoxy-4-(3,5,6,7-tetrahydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128773HMDB