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

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(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid

MNXM2572 is deprecated and here replaced by MNXM733092
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM733092
reference	chebi:17337
formula	C₆H₅ClO₄
global charge	0
mol weight	176.555
InChIKey	WGZZDRVKIXVYEI-UHFFFAOYSA-N
InChI	InChI=1S/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)
SMILES	O=C(O)CC1(Cl)C=CC(=O)O1

MNX internals

InChI (mnx)	InChI=1/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)/t6?
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([CH2:3][C:4](=[O:8])[OH:9])([Cl:7])[O:11][C:5]1=[O:10]

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:17337 chebi:17337 WGZZDRVKIXVYEI-UHFFFAOYSA-N	(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid (2-chloro-5-oxo-2,5-dihydrofuran-2-yl)acetic acid 2-Chloro-2,5-dihydro-5-oxofuran-2-acetate 2-Chloro-5-oxo-2,5-dihydrofuran-2-acetate 2-chloro-5-oxo-2,5-dihydrofuran-2-acetate 5-Chloro-2,5-dihydro-2-oxofuran-5-acetate 5-chloro-2,5-dihydro-2-oxofuran-5-acetate
vmhM:2c25dh5of2a vmhmetabolite:2c25dh5of2a WGZZDRVKIXVYEI-UHFFFAOYSA-N	2-Chloro-2,5-dihydro-5-oxofuran-2-acetate
CHEBI:58109 chebi:58109 WGZZDRVKIXVYEI-UHFFFAOYSA-M	2-chloro-5-oxo-2,5-dihydro-2-furylacetate (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate anion (2-chloro-5-oxo-2,5-dihydrofuran-2-yl)acetate 2-(2-chloro-5-oxo-2,5-dihydrofuran-2-yl)acetate 2-(2-chloro-5-oxo-2,5-dihydrofuran-2-yl)acetate anion
chebi:1039 chebi:11539 chebi:19499 vmhM:M_2c25dh5of2a	secondary/obsolete/fantasy identifier