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

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	Properties	Image
MNX_ID	MNXM22376
reference	envipathM:...2e1d47ccadd1
formula	C₁₁H₁₄ClNO₃
global charge	0
mol weight	243.69
InChIKey	IZPQESMSWSVMJJ-UHFFFAOYSA-N
InChI	InChI=1S/C11H14ClNO3/c1-8(7-14)11(15)13(16)6-9-4-2-3-5-10(9)12/h2-5,8,14,16H,6-7H2,1H3
SMILES	CC(CO)C(=O)N(O)CC1=C(Cl)C=CC=C1

MNX internals

InChI (mnx)	InChI=1/C11H14ClNO3/c1-8(7-14)11(15)13(16)6-9-4-2-3-5-10(9)12/h2-5,8,14,16H,6-7H2,1H3/t8?
SMILES (mnx)	[CH3:1][CH:8]([CH2:7][OH:14])[C:11]([N:13]([CH2:6][C:9]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:10]1[Cl:12])[OH:16])=[O:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
envipath:...357be6286322 envipathM:...357be6286322 envipath:...2e1d47ccadd1 envipathM:...2e1d47ccadd1 IZPQESMSWSVMJJ-UHFFFAOYSA-N	Unknown2
bigg.metabolite:unk2_BS biggM:unk2_BS	Unknown 2
seed.compound:cpd15645 seedM:cpd15645	unknown 2 unk2_BS
biggM:M_unk2_BS seedM:M_cpd15645	secondary/obsolete/fantasy identifier