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CHEBI:189772 - 3,4,5-trihydroxy-6-{[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:189772
ChEBI Name3,4,5-trihydroxy-6-{[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O14
Net Charge0
Average Mass510.404
Monoisotopic Mass510.10096
SMILESCOc1cc(C2Oc3cc(O)c(O)c(OC4OC(C(=O)O)C(O)C(O)C4O)c3C(=O)C2O)ccc1O
InChIInChI=1S/C22H22O14/c1-33-9-4-6(2-3-7(9)23)18-15(28)13(26)11-10(34-18)5-8(24)12(25)19(11)35-22-17(30)14(27)16(29)20(36-22)21(31)32/h2-5,14-18,20,22-25,27-30H,1H3,(H,31,32)
InChIKeyAHEHHVHIQJMZGY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:189772) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:189772) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
3,4,5-trihydroxy-6-[[3,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128791HMDB