DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:27 UTC
Update Date	2025-03-25 00:54:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02204583
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₉NO₁₀
Molecular Mass	385.1009
SMILES	O=CNC(Cc1ccc(O)cc1)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	XKUDMIYKWCMVFV-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 carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters glucuronic acid derivatives hydrocarbon derivatives monosaccharides n-formyl-alpha amino acids o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound n-formyl-alpha amino acid or derivatives oxane organoheterocyclic compound amphetamine or derivatives alcohol pyran carboxylic acid or derivatives tyrosine or derivatives hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide fatty acid ester phenylalanine or derivatives n-formyl-alpha-amino acid organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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