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

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ChEBI Name isovitexin 2''-O-β-D-glucoside(1−)
ChEBI ID CHEBI:58124
ChEBI ASCII Name isovitexin 2''-O-beta-D-glucoside(1-)
Definition The conjugate base of isovitexin 2''-O-β-D-glucoside arising from selective deprotonation of 6-hydroxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H29O15
Net Charge -1
Average Mass 593.51020
Monoisotopic Mass 593.15119
InChI InChI=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
InChIKey RQTTXGQDIROLTQ-FLJXCGGLSA-M
SMILES OC[C@H]1OC(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc3oc(cc(=O)c3c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing 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 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
Synonym Source
isovitexin 2''-O-β-D-glucoside UniProt
Manual Xref Database
ISOVITEXIN-2-O-B-D-GLUCOSIDE MetaCyc
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Last Modified
13 November 2017