CHEBI:144439 - myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−)

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ChEBI Name myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−)
ChEBI ID CHEBI:144439
ChEBI ASCII Name myricetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside(1-)
Definition A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavonoid moiety of myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside. The major species at pH 7.3. Identified in PMID 29667287 Fig. S17, peak 8.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C27H29O18
Net Charge -1
Average Mass 641.512
Monoisotopic Mass 641.13594
InChI InChI=1S/C27H30O18/c28-5-13-17(35)20(38)22(40)26(42-13)45-25-21(39)18(36)14(6-29)43-27(25)44-24-19(37)15-9(31)3-8(30)4-12(15)41-23(24)7-1-10(32)16(34)11(33)2-7/h1-4,13-14,17-18,20-22,25-36,38-40H,5-6H2/p-1/t13-,14-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
InChIKey IIDMOSGKMRTITM-FPFFPGFSSA-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[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=C(C(=C5)O)O)O)O)[O-]
ChEBI Ontology
Outgoing 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-glucosyl-(1→2)-β-D-glucoside(1−) (CHEBI:144439) is a flavonoid oxoanion (CHEBI:60038)
myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−) (CHEBI:144439) is conjugate base of myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:145275)
Incoming myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:145275) is conjugate acid of myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−) (CHEBI:144439)
IUPAC Name
3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-olate
Synonym Source
myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside UniProt
Citation Waiting for Citations Type Source
29967287 PubMed citation SUBMITTER
Last Modified
01 November 2019