DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:45 UTC
Update Date	2025-03-25 00:53:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200712
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₇NO₅
Molecular Mass	325.1889
SMILES	COCCc1ccc(OCC(O)CNCCC(C)C(=O)O)cc1
InChI Key	NSNRJZWRXHNXOJ-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers amino acids carbonyl compounds carboxylic acids dialkyl ethers dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenol ethers phenoxy compounds secondary alcohols tyrosols and derivatives
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid amino acid gamma amino acid or derivatives alkyl aryl ether dialkyl ether organic oxide organonitrogen compound organopnictogen compound tyrosol derivative alcohol secondary aliphatic amine secondary amine aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound amine

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