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

ChEBI IDCHEBI:75396
ChEBI Name2''-O-α-L-arabinopyranosylisoscoparin
Stars
ASCII Name2''-O-alpha-L-arabinopyranosylisoscoparin
DefinitionA trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by an α-L-arabinopyranosyl residue.
Last Modified21 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC27H30O15
Net Charge0
Average Mass594.522
Monoisotopic Mass594.15847
SMILESCOc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)ccc1O
InChIInChI=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
InChIKeyKUWGHIQQQGCUJX-ORNBPAKCSA-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)
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-arabinosideChEBI