DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:35 UTC
Update Date	2025-03-25 00:51:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184350
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₄N₂O₁₁
Molecular Mass	444.138
SMILES	NC(Cc1ccc(O)cc1)C(=O)NCC(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	HJCHAXQTGOHUDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetals alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides 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 fatty amide o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative 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 alpha-amino acid amide hydroxy acid carboxamide group beta amino acid or derivatives oxacycle secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyran hybrid glycopeptide secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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