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CHEBI:58124 - isovitexin 2''-O-β-D-glucoside(1−)

ChEBI IDCHEBI:58124
ChEBI Nameisovitexin 2''-O-β-D-glucoside(1−)
Stars
ASCII Nameisovitexin 2''-O-beta-D-glucoside(1-)
DefinitionThe conjugate base of isovitexin 2''-O-β-D-glucoside arising from selective deprotonation of 6-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)oc2cc([O-])c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIInChI=1S/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/p-1/t15-,16-,19-,20-,22+,23+,24-,25+,26-,27?/m1/s1
InChIKeyRQTTXGQDIROLTQ-FLJXCGGLSA-M
ChEBI Ontology
Outgoing Relation(s)
isovitexin 2''-O-β-D-glucoside(1−) (CHEBI:58124) is a organic anion (CHEBI:25696)
isovitexin 2''-O-β-D-glucoside(1−) (CHEBI:58124) is conjugate base of isovitexin 2''-O-β-D-glucoside (CHEBI:17379)
Incoming Relation(s)
isovitexin 2''-O-β-D-glucoside (CHEBI:17379) is conjugate acid of isovitexin 2''-O-β-D-glucoside(1−) (CHEBI:58124)
IUPAC Name 
(1S)-1,5-anhydro-2-O-D-glucopyranosyl-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxido-4-oxo-4H-chromen-6-yl]-D-glucitol
UniProt Name  Source
isovitexin 2''-O-β-D-glucosideUniProt
Manual XrefsDatabases
ISOVITEXIN-2-O-B-D-GLUCOSIDEMetaCyc