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CHEBI:192044 - 3'',6''-Di-O-p-coumaroyltrifolin

ChEBI IDCHEBI:192044
ChEBI Name3'',6''-Di-O-p-coumaroyltrifolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H32O15
Net Charge0
Average Mass740.670
Monoisotopic Mass740.17412
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(OC(=O)/C=C/c2ccc(O)cc2)C1O
InChIInChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+
InChIKeyNFSCOXCDAAETPI-IAGONARPSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
3'',6''-Di-O-p-coumaroyltrifolin (CHEBI:192044) is a flavonoid (CHEBI:47916)
3'',6''-Di-O-p-coumaroyltrifolin (CHEBI:192044) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0040971HMDB