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CHEBI:187447 - Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside

ChEBI IDCHEBI:187447
ChEBI NameKaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H30O14
Net Charge0
Average Mass662.600
Monoisotopic Mass662.16356
SMILESCC(=O)OC1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C(C)O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H]1OC(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+/t16?,29-,32?,33-,34-/m0/s1
InChIKeyNEYRFFHYUHAXKD-HQNDMGBHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside (CHEBI:187447) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside (CHEBI:187447) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,5S,6S)-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
24844635ChemSpider
LMPK12111893LIPID MAPS