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CHEBI:75514 - isoorientin 7-O-glucoside

ChEBI IDCHEBI:75514
ChEBI Nameisoorientin 7-O-glucoside
Stars
ASCII Nameisoorientin 7-O-glucoside
DefinitionA C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a glucosyl residue.
Last Modified21 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC27H30O16
Net Charge0
Average Mass610.521
Monoisotopic Mass610.15338
SMILESO=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIInChI=1S/C27H30O16/c28-6-15-19(33)22(36)24(38)26(41-15)18-14(42-27-25(39)23(37)20(34)16(7-29)43-27)5-13-17(21(18)35)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27?/m1/s1
InChIKeyOQKYVRDRDIXQMK-UAMQNUGASA-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)
isoorientin 7-O-glucoside (CHEBI:75514) has functional parent isoorientin (CHEBI:17965)
isoorientin 7-O-glucoside (CHEBI:75514) has role metabolite (CHEBI:25212)
isoorientin 7-O-glucoside (CHEBI:75514) is a C-glycosyl compound (CHEBI:20857)
isoorientin 7-O-glucoside (CHEBI:75514) is a glycosyloxyflavone (CHEBI:50018)
isoorientin 7-O-glucoside (CHEBI:75514) is a monosaccharide derivative (CHEBI:63367)
isoorientin 7-O-glucoside (CHEBI:75514) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-7-(D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol
Registry NumbersSources
Reaxys:6627319Reaxys