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CHEBI:144438 - quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−)

ChEBI IDCHEBI:144438
ChEBI Namequercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−)
Stars
ASCII Namequercetin 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 flavone moiety of quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside. The major species at pH 7.3.
Last Modified10 January 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H29O17
Net Charge-1
Average Mass625.512
Monoisotopic Mass625.14102
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(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12
InChIInChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/p-1/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
InChIKeyRDUAJIJVNHKTQC-UJECXLDQSA-M
ChEBI Ontology
Outgoing Relation(s)
quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−) (CHEBI:144438) is a flavonoid oxoanion (CHEBI:60038)
quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−) (CHEBI:144438) is conjugate base of quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:32082)
Incoming Relation(s)
quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:32082) is conjugate acid of quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−) (CHEBI:144438)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-4-oxo-4H-chromen-7-olate
UniProt Name  Source
quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucosideUniProt