MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

Ethyl 3-oxo-3-phenylpropanoate

	Properties	Image
MNX_ID	MNXM125501
reference	chebi:173927
formula	C₁₁H₁₂O₃
global charge	0
mol weight	192.214
InChIKey	GKKZMYDNDDMXSE-UHFFFAOYSA-N
InChI	InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
SMILES	CCOC(=O)CC(=O)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][O:14][C:11]([CH2:8][C:10]([C:9]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)=[O:12])=[O:13]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:173927 chebi:173927 GKKZMYDNDDMXSE-UHFFFAOYSA-N	Ethyl 3-oxo-3-phenylpropanoate AF4878000 ethyl 3-oxo-3-phenylpropanoate
hmdb:HMDB0040268 GKKZMYDNDDMXSE-UHFFFAOYSA-N	Ethyl 3-oxo-3-phenylpropanoate 1-Ethoxy-3-phenylpropane-1,3-dione 3-oxo,3-PHENYL-propanoIC ACID,ethyl ester Acetic acid, benzoyl-, ethyl ester Benzenepropanoic acid, beta-oxo-, ethyl ester Benzoylacetic acid ethyl ester Benzoylacetic acid, ethyl ester Ethyl 3-oxo-3-phenylpropanoic acid Ethyl 3-oxo-3-phenylpropionate Ethyl 3-phenyl-3-oxopropanoate Ethyl benzoyl acetate Ethyl benzoylacetate Ethyl beta-oxobenzenepropanoate FEMA 2423 ethyl 3-oxo-3-phenylpropanoate ethyl benzoylacetate
hmdb:HMDB40268	secondary/obsolete/fantasy identifier