DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:38 UTC
Update Date	2025-03-25 01:02:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253083
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₉NO₇
Molecular Mass	349.1162
SMILES	O=C(O)C(Cc1ccc(O)c(O)c1)N=CC=C1CCCC(C(=O)O)O1
InChI Key	MNKSELQLANNHJL-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds pyran carboxylic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid pyran carboxylic acid propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound amphetamine or derivatives pyran carboxylic acid or derivatives tyrosine or derivatives organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid oxacycle phenylalanine or derivatives organic oxygen compound pyran dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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