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CHEBI:144444 - myricetin 3-O-β-D-glucopyranoside(1−)

ChEBI IDCHEBI:144444
ChEBI Namemyricetin 3-O-β-D-glucopyranoside(1−)
Stars
ASCII Namemyricetin 3-O-beta-D-glucopyranoside(1-)
DefinitionA flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of myricetin 3-O-β-D-glucopyranoside. The major species at pH 7.3.
Last Modified1 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H19O13
Net Charge-1
Average Mass479.370
Monoisotopic Mass479.08311
SMILESO=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc([O-])cc(O)c12
InChIInChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/p-1/t12-,15-,17+,18-,21+/m1/s1
InChIKeyFOHXFLPXBUAOJM-LIBJPBHASA-M
ChEBI Ontology
Outgoing Relation(s)
myricetin 3-O-β-D-glucopyranoside(1−) (CHEBI:144444) is a flavonoid oxoanion (CHEBI:60038)
myricetin 3-O-β-D-glucopyranoside(1−) (CHEBI:144444) is conjugate base of myricetin 3-O-β-D-glucopyranoside (CHEBI:75813)
Incoming Relation(s)
myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−) (CHEBI:144439) has functional parent myricetin 3-O-β-D-glucopyranoside(1−) (CHEBI:144444)
myricetin 3-O-β-D-glucopyranoside (CHEBI:75813) is conjugate acid of myricetin 3-O-β-D-glucopyranoside(1−) (CHEBI:144444)
IUPAC Name 
3-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-olate
UniProt Name  Source
myricetin 3-O-β-D-glucosideUniProt