DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:54 UTC
Update Date	2025-03-25 01:01:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02246897
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₅NO₆
Molecular Mass	351.1682
SMILES	CC=CCCCC(NC(Cc1ccc(O)c(OC)c1)C(=O)O)C(=O)O
InChI Key	LSKOABXZBQMDNR-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 alkyl aryl ethers alpha amino acids amino acids amino fatty acids anisoles carbocyclic fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acyls hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives methoxybenzenes methoxylated amphetamines methoxyphenols organic oxides organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids
Substituents	fatty acyl carbocyclic fatty acid phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid amino acid 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether 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 methoxylated amphetamine secondary amine amino fatty acid methoxybenzene aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound anisole dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound amine

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