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CHEBI:75589 - isoschaftoside

ChEBI IDCHEBI:75589
ChEBI Nameisoschaftoside
Stars
DefinitionA C-glycosyl compound that is apigenin substituted at positions 6 and 8 by α-L-arabinopyranosyl and β-D-glucosyl residues respectively.
Last Modified22 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC26H28O14
Net Charge0
Average Mass564.496
Monoisotopic Mass564.14791
SMILESO=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[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)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/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
InChIKeyOVMFOVNOXASTPA-VYUBKLCTSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
isoschaftoside (CHEBI:75589) has functional parent apigenin (CHEBI:18388)
isoschaftoside (CHEBI:75589) has role metabolite (CHEBI:25212)
isoschaftoside (CHEBI:75589) is a C-glycosyl compound (CHEBI:20857)
isoschaftoside (CHEBI:75589) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4H-chromen-4-one
Synonyms  Source
apigenin 6-C-α-L-arabinopyranoside-8-C-β-D-glucopyranosideLIPID MAPS
apigenin 6-C-arabinoside 8-C-glucosideChEBI
6-C-α-L-arabinopyranosyl-8-C-β-D-glucosylapigeninChEBI
Manual XrefsDatabases
LMPK12110243LIPID MAPS
Registry NumbersSources
Reaxys:1445782Reaxys
CAS:52012-29-0ChemIDplus