DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:39 UTC
Update Date	2025-03-25 00:59:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239273
Frequency	0.5
Structure
Chemical Formula	C₈H₄Cl₃N₃O
Molecular Mass	262.942
SMILES	N#Cc1c(Cl)c(Cl)c(N)c(C(N)=O)c1Cl
InChI Key	UVKVIIJKOCJMCK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	3-halobenzoic acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives amino acids and derivatives aryl chlorides benzamides benzonitriles benzoyl derivatives carboxylic acids and derivatives chlorobenzenes hydrocarbon derivatives nitriles organic oxides organochlorides organooxygen compounds organopnictogen compounds primary amines primary carboxylic acid amides vinylogous amides vinylogous halides
Substituents	primary carboxylic acid amide nitrile amino acid or derivatives 3-halobenzoic acid or derivatives organochloride benzoyl carboxylic acid derivative organohalogen compound benzamide organic oxide organonitrogen compound organopnictogen compound carbonitrile aryl chloride chlorobenzene vinylogous amide carboxamide group vinylogous halide 2-halobenzoic acid or derivatives benzonitrile aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound halobenzene amine organooxygen compound

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