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CHEBI:176367 - Chrysoeriol glucuronide

ChEBI IDCHEBI:176367
ChEBI NameChrysoeriol glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O12
Net Charge0
Average Mass476.390
Monoisotopic Mass476.09548
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)ccc1O
InChIInChI=1S/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1
InChIKeyVLYLVFHVHHGXHX-SXFAUFNYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) leaf (BTO:0000713) MetaboLights (MTBLS2566)
ChEBI Ontology
Outgoing Relation(s)
Chrysoeriol glucuronide (CHEBI:176367) is a flavonoids (CHEBI:72544)
Chrysoeriol glucuronide (CHEBI:176367) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid