DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:29 UTC
Update Date	2025-03-25 00:57:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223305
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₀N₂O₇
Molecular Mass	400.1271
SMILES	NC(Cc1ccc(O)cc1)C(=O)NC(OC(=O)C=Cc1ccc(O)cc1)C(=O)O
InChI Key	QTMDNUKYSFGFRD-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives enoate esters fatty acid esters fatty amides hydrocarbon derivatives hydroxycinnamic acids monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives hydroxycinnamic acid or derivatives alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives enoate ester tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group hydroxycinnamic acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide fatty acid ester phenylalanine or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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