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CHEBI:177972 - 3,4,5-trihydroxy-6-{[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:177972
ChEBI Name3,4,5-trihydroxy-6-{[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}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)c2OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C22H20O14/c1-33-9-4-6(2-3-7(9)23)18-19(14(27)11-10(34-18)5-8(24)12(25)13(11)26)35-22-17(30)15(28)16(29)20(36-22)21(31)32/h2-5,15-17,20,22-26,28-30H,1H3,(H,31,32)
InChIKeyKVEBZWYJDCRFCN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}oxane-2-carboxylic acid (CHEBI:177972) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}oxane-2-carboxylic acid (CHEBI:177972) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128772HMDB