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CHEBI:57842 - vitexin 2''-O-β-D-glucoside(1−)

ChEBI IDCHEBI:57842
ChEBI Namevitexin 2''-O-β-D-glucoside(1−)
Stars
ASCII Namevitexin 2''-O-beta-D-glucoside(1-)
DefinitionConjugate base of vitexin 2''-O-β-D-glucoside arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC27H29O15
Net Charge-1
Average Mass593.514
Monoisotopic Mass593.15119
SMILESO=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([O-])cc(O)c12
InChIInChI=1S/C27H30O15/c28-7-15-20(35)22(37)26(42-27-23(38)21(36)19(34)16(8-29)41-27)25(40-15)18-12(32)5-11(31)17-13(33)6-14(39-24(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-23,25-32,34-38H,7-8H2/p-1/t15-,16-,19-,20-,21+,22+,23-,25+,26-,27+/m1/s1
InChIKeyFYTOTHFWELWOCG-OAFKVUNRSA-M
ChEBI Ontology
Outgoing Relation(s)
vitexin 2''-O-β-D-glucoside(1−) (CHEBI:57842) is a flavonoid oxoanion (CHEBI:60038)
vitexin 2''-O-β-D-glucoside(1−) (CHEBI:57842) is conjugate base of vitexin 2''-O-β-D-glucoside (CHEBI:16631)
Incoming Relation(s)
vitexin 2''-O-β-D-glucoside (CHEBI:16631) is conjugate acid of vitexin 2''-O-β-D-glucoside(1−) (CHEBI:57842)
IUPAC Name 
(1S)-1,5-anhydro-2-O-β-D-glucopyranosyl-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-8-yl]-D-glucitol
Synonym  Source
vitexin 2''-O-β-D-glucoside anionChEBI
UniProt Name  Source
vitexin 2''-O-β-D-glucosideUniProt