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CHEBI:75559 - 7-O-β-D-glucosylisoscoparin

ChEBI IDCHEBI:75559
ChEBI Name7-O-β-D-glucosylisoscoparin
Stars
ASCII Name7-O-beta-D-glucosylisoscoparin
DefinitionA C-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a β-D-glucosyl residue.
Last Modified22 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC28H32O16
Net Charge0
Average Mass624.548
Monoisotopic Mass624.16903
SMILESCOc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)ccc1O
InChIInChI=1S/C28H32O16/c1-40-13-4-9(2-3-10(13)31)12-5-11(32)18-14(41-12)6-15(43-28-26(39)24(37)21(34)17(8-30)44-28)19(22(18)35)27-25(38)23(36)20(33)16(7-29)42-27/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1
InChIKeyOIGSSDJKYJBKMU-JFECCKQBSA-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)
7-O-β-D-glucosylisoscoparin (CHEBI:75559) has functional parent isoscoparin (CHEBI:18200)
7-O-β-D-glucosylisoscoparin (CHEBI:75559) has role metabolite (CHEBI:25212)
7-O-β-D-glucosylisoscoparin (CHEBI:75559) is a C-glycosyl compound (CHEBI:20857)
7-O-β-D-glucosylisoscoparin (CHEBI:75559) is a dihydroxyflavone (CHEBI:38686)
7-O-β-D-glucosylisoscoparin (CHEBI:75559) is a glycosyloxyflavone (CHEBI:50018)
7-O-β-D-glucosylisoscoparin (CHEBI:75559) is a monomethoxyflavone (CHEBI:25401)
7-O-β-D-glucosylisoscoparin (CHEBI:75559) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
(1S)-1,5-anhydro-1-[7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
Synonyms  Source
isoscoparin 7-O-glucosideChEBI
isoscoparin 7-O-β-D-glucosideChEBI