DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:19 UTC
Update Date	2025-03-21 18:41:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132539
Frequency	19.0
Structure
Chemical Formula	C₁₀H₁₂N₂O₄
Molecular Mass	224.0797
SMILES	CC(=O)C(N)Cc1ccc(O)c([N+](=O)[O-])c1
InChI Key	BDBZVLBLHGOMOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenethylamines
Direct Parent	amphetamines and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids hydrocarbon derivatives ketones monoalkylamines nitroaromatic compounds nitrobenzenes nitrophenols organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	carbonyl group allyl-type 1,3-dipolar organic compound 1-hydroxy-2-unsubstituted benzenoid organic nitro compound propargyl-type 1,3-dipolar organic compound ketone organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium nitrophenol amphetamine or derivatives nitrobenzene nitroaromatic compound organic 1,3-dipolar compound aromatic homomonocyclic compound organic oxygen compound phenol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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