DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:19 UTC
Update Date	2025-03-25 00:51:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186067
Frequency	0.5
Structure
Chemical Formula	C₂₇H₂₇NO₉
Molecular Mass	509.1686
SMILES	O=C(C=Cc1ccc(O)c(O)c1)OC1CC(=CC=NC(Cc2ccc(O)cc2)C(=O)O)CC(C(=O)O)C1
InChI Key	LITPVCAXYTWRPM-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 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids enoate esters fatty acid esters hydrocarbon derivatives hydroxycinnamic acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid imine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives hydroxycinnamic acid or derivatives propargyl-type 1,3-dipolar organic compound aldimine alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives enoate ester tyrosine or derivatives organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid hydroxycinnamic acid aromatic homomonocyclic compound fatty acid ester phenylalanine or derivatives organic oxygen compound carboxylic acid ester phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02186067