DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:56 UTC
Update Date	2025-03-25 00:50:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180671
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₈N₂O₁₀
Molecular Mass	492.1744
SMILES	COc1cc(CNC(=O)C(N)Cc2ccc(O)cc2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	FMANHCIYQWYBFK-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 acetals alkyl aryl ethers alpha amino acid amides alpha amino acids amphetamines and derivatives anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fatty amides glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monoalkylamines monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds phenylalanine and derivatives pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carboxylic acid o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide acetal organonitrogen compound alpha-amino acid oxane organoheterocyclic compound alcohol tyrosine or derivatives alpha-amino acid amide methoxybenzene secondary carboxylic acid amide anisole phenol hydrocarbon derivative primary aliphatic amine phenoxy compound fatty acyl carbonyl group ether glucuronic acid or derivatives aromatic heteromonocyclic compound fatty amide 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether organic oxide organopnictogen compound amphetamine or derivatives pyran carboxylic acid or derivatives hydroxy acid carboxamide group oxacycle monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyran secondary alcohol benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02180671