DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:36 UTC
Update Date	2025-03-25 00:53:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198020
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉NO₈
Molecular Mass	341.1111
SMILES	NC1C(O)CC(O)(C(=O)O)OC1C(Cc1cccc(O)c1)C(=O)O
InChI Key	WEUAACGEZRZCJX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	c-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha hydroxy acids and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives gamma amino acids and derivatives hemiacetals hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylpropanoic acids pyran carboxylic acids secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid gamma amino acid or derivatives alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative pyran carboxylic acid organic oxide organonitrogen compound organopnictogen compound hemiacetal delta amino acid or derivatives oxane organoheterocyclic compound c-glucuronide alcohol pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle pyran secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound

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