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CHEBI:231649 - quercetin 3-β-gentiobioside(2−)

ChEBI IDCHEBI:231649
ChEBI Namequercetin 3-β-gentiobioside(2−)
Stars
ASCII Namequercetin 3-beta-gentiobioside(2-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H28O17
Net Charge-2
Average Mass624.504
Monoisotopic Mass624.13375
SMILES[H][C@@]1(OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc([O-])cc([O-])c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/p-2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
InChIKeyFDRQPMVGJOQVTL-DEFKTLOSSA-L
ChEBI Ontology
Outgoing Relation(s)
quercetin 3-β-gentiobioside(2−) (CHEBI:231649) is a quercetin O-glycoside (CHEBI:76424)
quercetin 3-β-gentiobioside(2−) (CHEBI:231649) is conjugate base of quercetin 3-β-gentiobioside (CHEBI:136778)
Incoming Relation(s)
quercetin 3-β-gentiobioside (CHEBI:136778) is conjugate acid of quercetin 3-β-gentiobioside(2−) (CHEBI:231649)
UniProt Name  Source
quercetin 3-β-gentiobiosideUniProt
Citations