DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:03 UTC
Update Date	2025-03-25 00:48:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169421
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₆N₂O₁₀
Molecular Mass	454.1587
SMILES	CC(=O)NC1C(O)C(OC(=O)C(C)c2ccc(CC(N)C(=O)O)cc2)OC(C(=O)O)C1O
InChI Key	PFKCFTZREJFURU-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alpha amino acids amphetamines and derivatives aromatic monoterpenoids benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids gamma amino acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monocyclic monoterpenoids monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylpropanoic acids pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monoterpenoid monocyclic benzene moiety carbonyl group monocyclic monoterpenoid carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid gamma amino acid or derivatives monosaccharide tricarboxylic acid or derivatives p-cymene pyran carboxylic acid beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound acetamide amphetamine or derivatives alcohol pyran carboxylic acid or derivatives hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyran carboxylic acid ester secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound aromatic monoterpenoid

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