DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:32 UTC
Update Date	2025-03-25 00:45:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152384
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₃NO₆
Molecular Mass	337.1525
SMILES	NC(CCCCOc1ccc(CC2CCC(=O)O2)cc1O)C(=O)O
InChI Key	OLZUCGMUXQBAFX-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	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl aryl ethers amino fatty acids carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives gamma butyrolactones heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds phenol ethers phenoxy compounds tetrahydrofurans
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid 1-hydroxy-2-unsubstituted benzenoid fatty acid alkyl aryl ether medium-chain hydroxy acid lactone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound tetrahydrofuran 1-hydroxy-4-unsubstituted benzenoid amino fatty acid gamma butyrolactone oxacycle organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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