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CHEBI:7513 - neoschaftoside

ChEBI IDCHEBI:7513
ChEBI Nameneoschaftoside
Stars
DefinitionA flavone C-glycoside that is apigenin attached to a β-D-glucopyranosyl and a β-L-arabinopyranosyl residues at positions 6 and 8 respectively via C-glycosidic linkage.
Last Modified5 June 2015
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-LQYCTPBQSA-N
Species of MetaboliteComponentSourceComments
Viola philippica (ncbitaxon:316493) - PubMed (14519932)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
neoschaftoside (CHEBI:7513) has functional parent apigenin (CHEBI:18388)
neoschaftoside (CHEBI:7513) has role plant metabolite (CHEBI:76924)
neoschaftoside (CHEBI:7513) is a dihydroxyflavone (CHEBI:38686)
neoschaftoside (CHEBI:7513) is a flavone C-glycoside (CHEBI:83280)
Synonym  Source
apigenin 6-C-β-D-glucopyranosyl-8-C-β-L-arabinopyranosideChEBI
Manual XrefsDatabases
C10110KEGG COMPOUND
C00006382KNApSAcK
LMPK12110244LIPID MAPS
Registry NumbersSources
Reaxys:6581044Reaxys
CAS:61328-41-4KEGG COMPOUND
CAS:61328-41-4ChemIDplus
Citations