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CHEBI:168058 - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide

ChEBI IDCHEBI:168058
ChEBI Name3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O14
Net Charge0
Average Mass522.415
Monoisotopic Mass522.10096
SMILESCOc1cc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C23H22O14/c1-33-9-5-7(3-4-8(9)24)19-20(36-23-18(30)16(28)17(29)21(37-23)22(31)32)15(27)12-10(35-19)6-11(34-2)13(25)14(12)26/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)
InChIKeyVEAQUGWEICGLMM-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',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide (CHEBI:168058) is a flavonoids (CHEBI:72544)
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide (CHEBI:168058) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0038262HMDB