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2,6-dioxo-6-phenylhexanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4272

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₁₂H₁₁O₄

charge

-1

mass

219.06628

reference

InChIKey

WHAWELFEJQCZFJ-UHFFFAOYSA-M

InChI

InChI=1S/C12H12O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-3,5-6H,4,7-8H2,(H,15,16)/p-1

SMILES

O=C([O-])C(=O)CCCC(=O)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:26-DIOXO-6-PHENYLHEXANOATE metacycM:26-DIOXO-6-PHENYLHEXANOATE CHEBI:57479 chebi:57479	2,6-dioxo-6-phenylhexanoate
kegg.compound:C03750 keggC:C03750	2,6-Dioxo-6-phenylhexanoate
seed.compound:cpd02350 seedM:cpd02350	2,6-Dioxo-6-phenylhexanoate 2,6-dioxo-6-phenylhexanoate
CHEBI:15707 chebi:15707	2,6-dioxo-6-phenylhexanoic acid 2,6-Dioxo-6-phenylhexanoate
chebi:11459 chebi:19405 chebi:958 keggC:M_C03750 seedM:M_cpd02350	secondary/obsolete/fantasy identifier