DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:02 UTC
Update Date	2025-03-25 01:01:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02249460
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₆ClNO₅
Molecular Mass	349.0717
SMILES	COc1cc(C=NC(Cc2ccc(O)c(Cl)c2)C(=O)O)ccc1O
InChI Key	FASTZKYDNUKBFG-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	1-hydroxy-2-unsubstituted benzenoids aldimines alkyl aryl ethers alpha amino acids amphetamines and derivatives anisoles aryl chlorides carbonyl compounds carboxylic acids chlorobenzenes halophenols hydrocarbon derivatives methoxybenzenes methoxyphenols monocarboxylic acids and derivatives o-chlorophenols organic oxides organochlorides organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid imine organochloride 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether organohalogen compound propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives aryl chloride 2-chlorophenol chlorobenzene tyrosine or derivatives organic 1,3-dipolar compound methoxybenzene aryl halide aromatic homomonocyclic compound 2-halophenol 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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