EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169909 - Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside)

ChEBI IDCHEBI:169909
ChEBI NameKaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H32O14
Net Charge0
Average Mass724.671
Monoisotopic Mass724.17921
SMILESCC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)/C=C\c2ccc(O)cc2)C(O)[C@H]1OC(=O)/C=C\c1ccc(O)cc1
InChIInChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6-,17-7-/t20?,34?,35-,38-,39-/m0/s1
InChIKeyKMOHJUXDKSMQOG-PDLHDDCLSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside) (CHEBI:169909) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside) (CHEBI:169909) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyloxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
24844685ChemSpider
LMPK12111943LIPID MAPS