DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:20 UTC
Update Date	2025-03-21 18:33:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00096406
Frequency	28.7
Structure
Chemical Formula	C₁₉H₁₉NO₇
Molecular Mass	373.1162
SMILES	COc1cc(CC(NC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O)ccc1O
InChI Key	DCVGQNKCIDOTLK-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 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers alpha amino acids anisoles carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxylated amphetamines methoxyphenols monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives n-acyl-alpha-amino acid methoxylated amphetamine 1-hydroxy-4-unsubstituted benzenoid carboxamide group methoxybenzene hydroxycinnamic acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound anisole phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

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