DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:46 UTC
Update Date	2025-03-25 00:56:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219295
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₃NO₇
Molecular Mass	377.1475
SMILES	COc1cc(CC(N=CC=C2CC(O)CC(C(=O)O)C2)C(=O)O)ccc1O
InChI Key	AJONWPYEJHYMCF-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 aldimines alkyl aryl ethers alpha amino acids anisoles carbonyl compounds carboxylic acids cyclic alcohols and derivatives dicarboxylic acids and derivatives hydrocarbon derivatives methoxybenzenes methoxylated amphetamines methoxyphenols organic oxides organopnictogen compounds phenoxy compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid methoxyphenol alkyl aryl ether propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alcohol tyrosine or derivatives methoxylated amphetamine organic 1,3-dipolar compound cyclic alcohol methoxybenzene aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound anisole secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organooxygen compound

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