DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:59 UTC
Update Date	2025-03-25 01:01:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02249347
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₄FNO₅
Molecular Mass	271.0856
SMILES	COc1cc(CC(NC(C)=O)C(=O)O)cc(F)c1O
InChI Key	YGXCBXUGEPKGQM-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides alkyl aryl ethers alpha amino acids anisoles aryl fluorides carbonyl compounds carboxylic acids fluorobenzenes halophenols hydrocarbon derivatives methoxybenzenes methoxylated amphetamines methoxyphenols monocarboxylic acids and derivatives n-acyl-alpha amino acids o-fluorophenols organic oxides organofluorides organonitrogen compounds organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	aryl fluoride phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid methoxyphenol alkyl aryl ether organohalogen compound fluorobenzene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives acetamide n-acyl-alpha amino acid or derivatives tyrosine or derivatives n-acyl-alpha-amino acid organofluoride methoxylated amphetamine carboxamide group methoxybenzene 2-fluorophenol aryl halide aromatic homomonocyclic compound 2-halophenol secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound anisole phenol hydrocarbon derivative benzenoid organic nitrogen compound halobenzene phenoxy compound organooxygen compound

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