DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:50 UTC
Update Date	2025-03-25 00:58:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230595
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₉ClN₄O₄S
Molecular Mass	410.0816
SMILES	CNC(=C[N+](=O)[O-])NCCSCc1ccc(C(=O)Nc2ccc(Cl)cc2)o1
InChI Key	UTDWFOUHBNBFGF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	anilides
Direct Parent	2-furanilides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides amino acids and derivatives aryl chlorides c-nitro compounds carboxylic acids and derivatives chlorobenzenes dialkylamines dialkylthioethers furoic acid and derivatives heteroaromatic compounds hydrocarbon derivatives organic oxides organic oxoanionic compounds organic oxoazanium compounds organochlorides organooxygen compounds organopnictogen compounds oxacyclic compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	furan aromatic heteromonocyclic compound amino acid or derivatives organochloride allyl-type 1,3-dipolar organic compound organosulfur compound carboxylic acid derivative organohalogen compound 2-heteroaryl carboxamide organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide 2-furanilide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium organoheterocyclic compound aryl chloride chlorobenzene secondary aliphatic amine furoic acid or derivatives sulfenyl compound dialkylthioether heteroaromatic compound organic 1,3-dipolar compound secondary amine carboxamide group aryl halide oxacycle secondary carboxylic acid amide organic oxygen compound thioether hydrocarbon derivative organic nitrogen compound halobenzene organooxygen compound amine organic hyponitrite

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