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

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ChEBI Name myricetin 3-O-β-D-glucopyranoside(1−)
ChEBI ID CHEBI:144444
ChEBI ASCII Name myricetin 3-O-beta-D-glucopyranoside(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H19O13
Net Charge -1
Average Mass 479.371
Monoisotopic Mass 479.08311
InChI InChI=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
InChIKey FOHXFLPXBUAOJM-LIBJPBHASA-M
SMILES C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C(=C4)O)O)O)O)[O-]
ChEBI Ontology
Outgoing 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 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
Synonym Source
myricetin 3-O-β-D-glucoside UniProt
Last Modified
01 November 2019