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CHEBI:173149 - Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside

ChEBI IDCHEBI:173149
ChEBI NameIsovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38O18
Net Charge0
Average Mass770.693
Monoisotopic Mass770.20581
SMILES[H][C@@]1(c2c(O[C@@H]3OC(COC(=O)/C=C/c4ccc(O)c(OC)c4)[C@@H](O)[C@H](O)C3O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C37H38O18/c1-50-21-10-15(2-8-18(21)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-20(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24?,25?,29-,30-,32+,33+,34?,35?,36+,37-/m1/s1
InChIKeyQPRAHMMZLWQOGS-XGGFGAQLSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside (CHEBI:173149) is a flavonoids (CHEBI:72544)
Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside (CHEBI:173149) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
24843382ChemSpider
LMPK12110328LIPID MAPS