DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:11 UTC
Update Date	2025-03-25 00:57:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02222594
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₁NO₁₁
Molecular Mass	415.1115
SMILES	O=C1OC(CNc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)C(O)C1O
InChI Key	SEPJIDAJCMVGMP-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 amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives gamma butyrolactones glucuronic acid derivatives hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds phenylalkylamines pyran carboxylic acids secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid lactone 1-o-glucuronide beta-hydroxy acid organic oxide acetal organonitrogen compound organopnictogen compound delta amino acid or derivatives oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tetrahydrofuran hydroxy acid secondary amine gamma butyrolactone secondary aliphatic/aromatic amine oxacycle pyran carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine

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