DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:18 UTC
Update Date	2025-03-21 18:00:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00029665
Frequency	125.8
Structure
Chemical Formula	C₁₀H₁₂N₂O₅
Molecular Mass	240.0746
SMILES	COc1ccc(CC(N)C(=O)O)cc1[N+](=O)[O-]
InChI Key	MZNPRACFHIBIGU-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers alpha amino acids anisoles carbonyl compounds carboxylic acids hydrocarbon derivatives methoxybenzenes methoxylated amphetamines monoalkylamines monocarboxylic acids and derivatives nitroaromatic compounds nitrophenyl ethers organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenoxy compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid allyl-type 1,3-dipolar organic compound alkyl aryl ether organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium amphetamine or derivatives nitrobenzene nitroaromatic compound methoxylated amphetamine organic 1,3-dipolar compound methoxybenzene aromatic homomonocyclic compound monocarboxylic acid or derivatives nitrophenyl ether phenylalanine or derivatives organic oxygen compound anisole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound organic hyponitrite

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