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CHEBI:75433 - 7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin

ChEBI IDCHEBI:75433
ChEBI Name7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin
Stars
ASCII Name7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl]isoscoparin
DefinitionA C-glycosyl compound that is isoscoparin in which the hydroxyl hydrogen at position 7 is replaced by an α-L-rhamnosyl-(1→2)-β-D-glucosyl moiety.
Last Modified21 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC34H42O20
Net Charge0
Average Mass770.690
Monoisotopic Mass770.22694
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[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)ccc1O
InChIInChI=1S/C34H42O20/c1-10-22(39)26(43)30(47)33(49-10)54-32-28(45)24(41)19(9-36)53-34(32)52-17-7-16-20(13(38)6-14(50-16)11-3-4-12(37)15(5-11)48-2)25(42)21(17)31-29(46)27(44)23(40)18(8-35)51-31/h3-7,10,18-19,22-24,26-37,39-47H,8-9H2,1-2H3/t10-,18+,19+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32+,33-,34+/m0/s1
InChIKeyGWBIGWXRXKMAOA-TZEQDANNSA-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-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin (CHEBI:75433) has functional parent isoscoparin (CHEBI:18200)
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin (CHEBI:75433) has role metabolite (CHEBI:25212)
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin (CHEBI:75433) is a C-glycosyl compound (CHEBI:20857)
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin (CHEBI:75433) is a dihydroxyflavone (CHEBI:38686)
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin (CHEBI:75433) is a disaccharide derivative (CHEBI:63353)
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin (CHEBI:75433) is a glycosyloxyflavone (CHEBI:50018)
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]isoscoparin (CHEBI:75433) is a monomethoxyflavone (CHEBI:25401)
IUPAC Name 
(1S)-1,5-anhydro-1-[7-{[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol
Synonym  Source
isoscoparin 7-O-rhamnosylglucosideChEBI