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CHEBI:81333 - 2''-o-p-Coumaroylaloesin

ChEBI IDCHEBI:81333
ChEBI Name2''-o-p-Coumaroylaloesin
Stars
DownloadsMolfile
FormulaC28H28O11
Net Charge0
Average Mass540.521
Monoisotopic Mass540.16316
SMILESCC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)/C=C/c3ccc(O)cc3)c2o1
InChIInChI=1S/C28H28O11/c1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15/h3-9,11,20,24-25,27-29,31-32,35-36H,10,12H2,1-2H3/b8-5+/t20-,24-,25+,27+,28-/m1/s1
InChIKeyQACRJXSXSVUOFZ-HINKZNOMSA-N
ChEBI Ontology
Outgoing Relation(s)
2''-o-p-Coumaroylaloesin (CHEBI:81333) is a cinnamate ester (CHEBI:36087)
Manual XrefsDatabases
C17781KEGG COMPOUND