DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:56 UTC
Update Date	2025-03-21 18:41:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133915
Frequency	18.8
Structure
Chemical Formula	C₁₈H₂₆N₂O₁₀
Molecular Mass	430.1587
SMILES	NC(Cc1ccc(O)cc1)C(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	ILOWAVPEEBLKLM-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 alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives amphetamines and derivatives benzene and substituted derivatives c-glucuronides carbonyl compounds carboxylic acids fatty amides hemiacetals hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound alpha-hydroxy acid fatty amide 1-hydroxy-2-unsubstituted benzenoid pyran carboxylic acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound amphetamine or derivatives c-glucuronide alcohol pyran carboxylic acid or derivatives tyrosine or derivatives alpha-amino acid amide hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyran secondary alcohol phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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