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

ChEBI IDCHEBI:144439
ChEBI Namemyricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−)
Stars
ASCII Namemyricetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside(1-)
DefinitionA 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.
Last Modified1 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H29O18
Net Charge-1
Average Mass641.511
Monoisotopic Mass641.13594
SMILESO=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[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/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
InChIKeyIIDMOSGKMRTITM-FPFFPGFSSA-M
ChEBI Ontology
Outgoing 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-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 Relation(s)
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
UniProt Name  Source
myricetin 3-O-β-D-glucosyl-(1→2)-β-D-glucosideUniProt
Citations