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4-coumaroyltriacetic acid lactone

Properties

Image

Occurences in reactions

MNX_ID

MNXM12564

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₅H₁₂O₅

charge

mass

272.06847

reference

InChIKey

ZUILKEWVWUKSAO-ZZXKWVIFSA-N

InChI

InChI=1S/C15H12O5/c16-11-4-1-10(2-5-11)3-6-12(17)7-14-8-13(18)9-15(19)20-14/h1-6,8-9,16,18H,7H2/b6-3+

SMILES

O=C(/C=C/c1ccc(O)cc1)Cc1cc(O)cc(=O)o1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78023 chebi:78023	4-coumaroyltriacetic acid lactone 4-hydroxy-6-[(3E)-4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl]-2H-pyran-2-one p-Coumaroyltriacetic acid lactone
sabiork.compound:14125 sabiorkM:14125 kegg.compound:C12087 keggC:C12087	p-Coumaroyltriacetic acid lactone
seed.compound:cpd08871 seedM:cpd08871	p-Coumaroyltriacetic acid lactone p-coumaroyltriacetate lactone p-coumaroyltriacetic acid lactone
metacyc.compound:CPD-6955 metacycM:CPD-6955	p-coumaroyltriacetic acid lactone p-coumaroyltriacetate lactone
chebi:29738 keggC:M_C12087 seedM:M_cpd08871	secondary/obsolete/fantasy identifier