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CHEBI:180786 - Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside

ChEBI IDCHEBI:180786
ChEBI NameIsovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H48O23
Net Charge0
Average Mass932.834
Monoisotopic Mass932.25864
SMILESCOc1cc(/C=C/C(=O)OCC2OC(OC3C(c4c(O)cc5oc(-c6ccc(OC7OC(CO)C(O)C(O)C7O)cc6)cc(=O)c5c4O)OC(CO)C(O)C3O)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C43H48O23/c1-59-23-10-16(2-8-19(23)46)3-9-28(49)60-15-27-33(52)36(55)39(58)43(65-27)66-41-37(56)32(51)25(13-44)63-40(41)30-21(48)12-24-29(34(30)53)20(47)11-22(62-24)17-4-6-18(7-5-17)61-42-38(57)35(54)31(50)26(14-45)64-42/h2-12,25-27,31-33,35-46,48,50-58H,13-15H2,1H3/b9-3+
InChIKeyNKQNBGQKLCZRCJ-YCRREMRBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside (CHEBI:180786) is a flavonoids (CHEBI:72544)
Isovitexin 2''-(6'''-feruloylglucoside) 4'-glucoside (CHEBI:180786) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[2-[5,7-dihydroxy-4-oxo-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0038044HMDB