DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:36 UTC
Update Date	2025-03-25 00:53:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200346
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₃N₃O₁₁
Molecular Mass	457.1333
SMILES	N=C(NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	LEDNWWXGKSCDKI-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	alpha-amino acyl ester of carbohydrates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetals alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboximidamides carboxylic acid esters carboxylic acids glucuronic acid derivatives guanidines hydrocarbon derivatives imines monosaccharides o-glucuronides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives phenylpropanoic acids pyran carboxylic acids secondary alcohols tricarboxylic acids and derivatives tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid guanidine imine o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide tricarboxylic acid or derivatives pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound amphetamine or derivatives alcohol pyran carboxylic acid or derivatives tyrosine or derivatives carboximidamide hydroxy acid oxacycle phenylalanine or derivatives organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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