CHEBI:75589 - isoschaftoside

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ChEBI Name isoschaftoside
ChEBI ID CHEBI:75589
Definition A C-glycosyl compound that is apigenin substituted at positions 6 and 8 by α-L-arabinopyranosyl and β-D-glucosyl residues respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H28O14
Net Charge 0
Average Mass 564.49210
Monoisotopic Mass 564.14791
InChI InChI=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
InChIKey OVMFOVNOXASTPA-VYUBKLCTSA-N
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(O)c2c1oc(cc2=O)-c1ccc(O)cc1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Sources
6-C-α-L-arabinopyranosyl-8-C-β-D-glucosylapigenin ChEBI
apigenin 6-C-α-L-arabinopyranoside-8-C-β-D-glucopyranoside LIPID MAPS
apigenin 6-C-arabinoside 8-C-glucoside ChEBI
Manual Xref Database
LMPK12110243 LIPID MAPS
View more database links
Registry Numbers Types Sources
1445782 Reaxys Registry Number Reaxys
52012-29-0 CAS Registry Number ChemIDplus
Last Modified
22 November 2013