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CHEBI:191824 - Kaempferol 3-(2-p-coumaroylsophoroside) 7-glucoside

ChEBI IDCHEBI:191824
ChEBI NameKaempferol 3-(2-p-coumaroylsophoroside) 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H46O23
Net Charge0
Average Mass918.807
Monoisotopic Mass918.24299
SMILESO=C(/C=C/c1ccc(O)cc1)OC1C(OC2C(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(CO)C(O)C(O)C5O)cc(O)c4c3=O)OC(CO)C(O)C2O)OC(CO)C(O)C1O
InChIInChI=1S/C42H46O23/c43-13-23-28(50)32(54)35(57)40(60-23)58-20-11-21(48)27-22(12-20)59-36(17-4-8-19(47)9-5-17)37(31(27)53)64-42-39(34(56)30(52)25(15-45)62-42)65-41-38(33(55)29(51)24(14-44)61-41)63-26(49)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+
InChIKeyCSGSYHAZGDVQGA-XCVCLJGOSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(2-p-coumaroylsophoroside) 7-glucoside (CHEBI:191824) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2-p-coumaroylsophoroside) 7-glucoside (CHEBI:191824) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-[4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0040802HMDB