CHEBI:16631 - vitexin 2''-O-β-D-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vitexin 2''-O-β-D-glucoside
ChEBI ID CHEBI:16631
ChEBI ASCII Name vitexin 2''-O-beta-D-glucoside
Definition A disaccharide derivative that is the 2''-O-glucosyl derivative of vitexin.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10013, CHEBI:15316, CHEBI:27309
Supplier Information
Download Molfile XML SDF
Formula C27H30O15
Net Charge 0
Average Mass 594.51810
Monoisotopic Mass 594.15847
InChI InChI=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/t15-,16-,19-,20-,21+,22+,23-,25+,26-,27+/m1/s1
InChIKey FYTOTHFWELWOCG-OAFKVUNRSA-N
SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing vitexin 2''-O-β-D-glucoside (CHEBI:16631) has functional parent vitexin (CHEBI:16954)
vitexin 2''-O-β-D-glucoside (CHEBI:16631) is a C-glycosyl compound (CHEBI:20857)
vitexin 2''-O-β-D-glucoside (CHEBI:16631) is a disaccharide derivative (CHEBI:63353)
vitexin 2''-O-β-D-glucoside (CHEBI:16631) is conjugate acid of vitexin 2''-O-β-D-glucoside(1−) (CHEBI:57842)
Incoming vitexin 2''-O-β-D-glucoside(1−) (CHEBI:57842) is conjugate base of vitexin 2''-O-β-D-glucoside (CHEBI:16631)
IUPAC Name
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-2-O-β-D-glucopyranosyl-D-glucitol
Synonyms Sources
2''-O-Glucosylvitexin KEGG COMPOUND
Flavosativaside KEGG COMPOUND
Vitexin 2''-O-beta-D-glucoside KEGG COMPOUND
Manual Xrefs Databases
C00006392 KNApSAcK
C04024 KEGG COMPOUND
LMPK12110248 LIPID MAPS
View more database links
Registry Numbers Types Sources
61360-94-9 CAS Registry Number KEGG COMPOUND
6997398 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23312385 PubMed citation Europe PMC
Last Modified
28 July 2014