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CHEBI:189941 - Isovitexin 2''-(6'''-p-coumaroylglucoside)

ChEBI IDCHEBI:189941
ChEBI NameIsovitexin 2''-(6'''-p-coumaroylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O17
Net Charge0
Average Mass740.667
Monoisotopic Mass740.19525
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1OC(OC2C(c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)OC(CO)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C36H36O17/c37-13-23-28(43)32(47)35(53-36-33(48)31(46)29(44)24(52-36)14-49-25(42)10-3-15-1-6-17(38)7-2-15)34(51-23)27-20(41)12-22-26(30(27)45)19(40)11-21(50-22)16-4-8-18(39)9-5-16/h1-12,23-24,28-29,31-39,41,43-48H,13-14H2/b10-3+
InChIKeyRECLDAGWBWVMCW-XCVCLJGOSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Isovitexin 2''-(6'''-p-coumaroylglucoside) (CHEBI:189941) is a C-glycosyl compound (CHEBI:20857)
Isovitexin 2''-(6'''-p-coumaroylglucoside) (CHEBI:189941) is a flavonoids (CHEBI:72544)
IUPAC Name 
[6-[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0038041HMDB