DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:44 UTC
Update Date	2025-03-25 00:49:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02177954
Frequency	0.5
Structure
Chemical Formula	C₁₀H₉Cl₂NO₅
Molecular Mass	292.9858
SMILES	COc1cc(C(=O)NCC(=O)O)c(Cl)c(Cl)c1O
InChI Key	YCLRNASOSNAVHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives alkyl aryl ethers alpha amino acids anisoles aryl chlorides benzoyl derivatives carbonyl compounds carboxylic acids dichlorobenzenes halophenols hippuric acids and derivatives hydrocarbon derivatives m-chlorophenols methoxybenzenes methoxyphenols monocarboxylic acids and derivatives o-chlorophenols organic oxides organochlorides organonitrogen compounds organopnictogen compounds phenoxy compounds secondary carboxylic acid amides vinylogous halides
Substituents	phenol ether monocyclic benzene moiety carboxylic acid 3-halobenzoic acid or derivatives organochloride benzoyl methoxyphenol organonitrogen compound alpha-amino acid aryl chloride 2-chlorophenol chlorobenzene 3-chlorophenol methoxybenzene vinylogous halide n-acylglycine aryl halide aromatic homomonocyclic compound secondary carboxylic acid amide anisole phenol hydrocarbon derivative halobenzene phenoxy compound carbonyl group ether alkyl aryl ether organohalogen compound benzamide organic oxide organopnictogen compound 1,2-dichlorobenzene 3-halophenol hippuric acid or derivatives benzoic acid or derivatives halobenzoic acid or derivatives carboxamide group 2-halobenzoic acid or derivatives 2-halophenol monocarboxylic acid or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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