DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:38 UTC
Update Date	2025-03-21 18:29:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00075634
Frequency	39.1
Structure
Chemical Formula	C₁₇H₂₁NO₁₂
Molecular Mass	431.1064
SMILES	O=C(CNC(Cc1ccc(O)c(O)c1)C(=O)O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	HMPILTQVGTVOKV-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 1-hydroxy-4-unsubstituted benzenoids acetals alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dialkylamines glucuronic acid derivatives hydrocarbon derivatives 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 amino acid 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 secondary aliphatic amine pyran carboxylic acid or derivatives tyrosine or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid secondary amine 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 amine

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