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CHEBI:9047 - schaftoside

ChEBI IDCHEBI:9047
ChEBI Nameschaftoside
Stars
DefinitionA C-glycosyl compound that is apigenin substituted by β-D-glucopyranosyl and an α-L-arabinopyranosyl moieties at positions 6 and 8 via C-glycosidic linkages.
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H28O14
Net Charge0
Average Mass564.496
Monoisotopic Mass564.14791
SMILESO=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIInChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
InChIKeyMMDUKUSNQNWVET-VYUBKLCTSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Application:
antinematodal drug  A substance used in the treatment or control of nematode infestations.
ChEBI Ontology
Outgoing Relation(s)
schaftoside (CHEBI:9047) has functional parent apigenin (CHEBI:18388)
schaftoside (CHEBI:9047) has role antinematodal drug (CHEBI:35444)
schaftoside (CHEBI:9047) has role antioxidant (CHEBI:22586)
schaftoside (CHEBI:9047) is a C-glycosyl compound (CHEBI:20857)
schaftoside (CHEBI:9047) is a trihydroxyflavone (CHEBI:27116)
Synonyms  Source
SchaftosideKEGG COMPOUND
8α-L-arabinopyranosyl-6β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-oneChEBI
apigenin 6-C-β-D-glucopyranosyl-8-C-α-L-arabinopyranosideChEBI
6-C-β-glucopyranosyl-8-C-α-arabinopyranosylapigeninChEBI
Manual XrefsDatabases
C10181KEGG COMPOUND
LMPK12110207LIPID MAPS
CN101773584Patent
C00006177KNApSAcK
Registry NumbersSources
Reaxys:1416363Reaxys
CAS:51938-32-0KEGG COMPOUND
CAS:51938-32-0ChemIDplus
Citations