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

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ChEBI Name quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside(1−)
ChEBI ID CHEBI:144438
ChEBI ASCII Name quercetin 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 flavone moiety of quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside. 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 C27H29O17
Net Charge -1
Average Mass 625.513
Monoisotopic Mass 625.14102
InChI InChI=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
InChIKey RDUAJIJVNHKTQC-UJECXLDQSA-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-]
ChEBI Ontology
Outgoing 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 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
Synonym Source
quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside UniProt
Last Modified
10 January 2020