CHEBI:75395 - 2''-O-(4-sinapoylarabinosyl)isoscoparin

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ChEBI Name 2''-O-(4-sinapoylarabinosyl)isoscoparin
ChEBI ID CHEBI:75395
ChEBI ASCII Name 2''-O-(4-sinapoylarabinosyl)isoscoparin
Definition A trihydroxyflavone that is the 4'''-O-sinapoyl derivative of isoscoparin 2''-O-arabinoside.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H40O19
Net Charge 0
Average Mass 800.71280
Monoisotopic Mass 800.21638
InChI InChI=1S/C38H40O19/c1-50-21-10-16(5-6-17(21)40)20-11-18(41)28-22(54-20)12-19(42)29(33(28)47)36-37(34(48)31(45)25(13-39)56-36)57-38-35(49)32(46)26(14-53-38)55-27(43)7-4-15-8-23(51-2)30(44)24(9-15)52-3/h4-12,25-26,31-32,34-40,42,44-49H,13-14H2,1-3H3/b7-4+/t25-,26+,31-,32+,34+,35-,36+,37-,38+/m1/s1
InChIKey YOFXNYRWIIFBRE-QOLNKJPBSA-N
SMILES COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](OC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)[C@H](O)[C@H]3O)c(O)cc2o1
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) has functional parent trans-sinapic acid (CHEBI:15714)
2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) has functional parent isoscoparin (CHEBI:18200)
2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) has role metabolite (CHEBI:25212)
2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) is a C-glycosyl compound (CHEBI:20857)
2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) is a cinnamate ester (CHEBI:36087)
2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) is a disaccharide derivative (CHEBI:63353)
2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) is a monomethoxyflavone (CHEBI:25401)
2''-O-(4-sinapoylarabinosyl)isoscoparin (CHEBI:75395) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-{4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-α-L-arabinopyranosyl}-D-glucitol
Synonyms Sources
4'''-sinapoylisoscoparin 2''-O-arabinoside ChEBI
sinapoylisoscoparin 2''-O-arabinoside ChEBI
Last Modified
21 November 2013