CHEBI:75396 - 2''-O-α-L-arabinopyranosylisoscoparin

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ChEBI Name 2''-O-α-L-arabinopyranosylisoscoparin
ChEBI ID CHEBI:75396
ChEBI ASCII Name 2''-O-alpha-L-arabinopyranosylisoscoparin
Definition A trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by an α-L-arabinopyranosyl residue.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H30O15
Net Charge 0
Average Mass 594.51810
Monoisotopic Mass 594.15847
InChI InChI=1S/C27H30O15/c1-38-15-4-9(2-3-10(15)29)14-5-11(30)18-16(40-14)6-12(31)19(22(18)35)25-26(23(36)21(34)17(7-28)41-25)42-27-24(37)20(33)13(32)8-39-27/h2-6,13,17,20-21,23-29,31-37H,7-8H2,1H3/t13-,17+,20-,21+,23-,24+,25-,26+,27-/m0/s1
InChIKey KUWGHIQQQGCUJX-ORNBPAKCSA-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](O)[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-α-L-arabinopyranosylisoscoparin (CHEBI:75396) has functional parent isoscoparin (CHEBI:18200)
2''-O-α-L-arabinopyranosylisoscoparin (CHEBI:75396) has role metabolite (CHEBI:25212)
2''-O-α-L-arabinopyranosylisoscoparin (CHEBI:75396) is a C-glycosyl compound (CHEBI:20857)
2''-O-α-L-arabinopyranosylisoscoparin (CHEBI:75396) is a disaccharide derivative (CHEBI:63353)
2''-O-α-L-arabinopyranosylisoscoparin (CHEBI:75396) is a monomethoxyflavone (CHEBI:25401)
2''-O-α-L-arabinopyranosylisoscoparin (CHEBI:75396) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name
(1S)-1,5-anhydro-2-O-α-L-arabinopyranosyl-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
Synonym Source
isoscoparin 2''-O-arabinoside ChEBI
Last Modified
21 November 2013