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CHEBI:191731 - Kaempferol 2G-coumaroylrutinoside

ChEBI IDCHEBI:191731
ChEBI NameKaempferol 2G-coumaroylrutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O17
Net Charge0
Average Mass740.667
Monoisotopic Mass740.19525
SMILESCC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC(=O)/C=C/c3ccc(O)cc3)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C36H36O17/c1-15-26(42)29(45)31(47)35(49-15)48-14-23-27(43)30(46)34(52-24(41)11-4-16-2-7-18(37)8-3-16)36(51-23)53-33-28(44)25-21(40)12-20(39)13-22(25)50-32(33)17-5-9-19(38)10-6-17/h2-13,15,23,26-27,29-31,34-40,42-43,45-47H,14H2,1H3/b11-4+
InChIKeyGOLQQIJBGPATQF-NYYWCZLTSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 2G-coumaroylrutinoside (CHEBI:191731) is a flavonoids (CHEBI:72544)
Kaempferol 2G-coumaroylrutinoside (CHEBI:191731) is a glycoside (CHEBI:24400)
IUPAC Name 
[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0037577HMDB