DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:02 UTC
Update Date	2025-03-25 00:47:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164805
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₇NO₇
Molecular Mass	347.1005
SMILES	CC(O)C1=CC(=CC=NC(Cc2ccc(O)c(O)c2)C(=O)O)OC1=O
InChI Key	JWIGBIGNHHBDMT-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 butenolides carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dihydrofurans enoate esters enol esters hydrocarbon derivatives lactones organic oxides organopnictogen compounds oxacyclic compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound lactone aldimine alpha,beta-unsaturated carboxylic ester 2-furanone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound enol ester organoheterocyclic compound amphetamine or derivatives dihydrofuran enoate ester alcohol tyrosine or derivatives organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid oxacycle phenylalanine or derivatives organic oxygen compound carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02164805