DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:15 UTC
Update Date	2025-03-21 18:37:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118252
Frequency	22.1
Structure
Chemical Formula	C₁₅H₁₉NO₁₀
Molecular Mass	373.1009
SMILES	O=C(O)C(CO)Nc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChI Key	LPOOMEKTPRYXIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acids amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds phenylalkylamines primary alcohols pyran carboxylic acids secondary alcohols secondary alkylarylamines serine and derivatives
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid o-glucuronide monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound alcohol pyran carboxylic acid or derivatives hydroxy acid secondary amine secondary aliphatic/aromatic amine oxacycle pyran secondary alcohol dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound serine or derivatives amine

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