EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172788 - Kaempferol 3-(2'',3''-diacetyl-4''-p-coumaroylrhamnoside)

ChEBI IDCHEBI:172788
ChEBI NameKaempferol 3-(2'',3''-diacetyl-4''-p-coumaroylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H30O14
Net Charge0
Average Mass662.600
Monoisotopic Mass662.16356
SMILESCC(=O)OC1C(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)OC(C)C(OC(=O)/C=C/c2ccc(O)cc2)C1OC(C)=O
InChIInChI=1S/C34H30O14/c1-16-29(47-26(41)13-6-19-4-9-21(37)10-5-19)32(44-17(2)35)33(45-18(3)36)34(43-16)48-31-28(42)27-24(40)14-23(39)15-25(27)46-30(31)20-7-11-22(38)12-8-20/h4-16,29,32-34,37-40H,1-3H3/b13-6+
InChIKeyNEYRFFHYUHAXKD-AWNIVKPZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(2'',3''-diacetyl-4''-p-coumaroylrhamnoside) (CHEBI:172788) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2'',3''-diacetyl-4''-p-coumaroylrhamnoside) (CHEBI:172788) is a glycoside (CHEBI:24400)
IUPAC Name 
[4,5-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0040537HMDB