DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:04 UTC
Update Date	2025-03-21 18:28:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00071885
Frequency	41.7
Structure
Chemical Formula	C₁₅H₂₂N₂O₆
Molecular Mass	326.1478
SMILES	NC(CCCCNC(Cc1ccc(O)c(O)c1)C(=O)O)C(=O)O
InChI Key	KEMHRSKROHEHFT-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 alpha amino acids amino acids amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid 1-hydroxy-2-unsubstituted benzenoid fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives secondary aliphatic amine tyrosine or derivatives 1-hydroxy-4-unsubstituted benzenoid secondary amine amino fatty acid aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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