DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:20 UTC
Update Date	2025-03-21 18:38:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118447
Frequency	22.1
Structure
Chemical Formula	C₉H₁₈NO₁₁P
Molecular Mass	347.0617
SMILES	NC1C(O)CC(OP(=O)(O)O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	NJCDEFSDFLGSMU-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	aliphatic heteromonocyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids delta amino acids and derivatives hydrocarbon derivatives monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols
Substituents	carbonyl group carboxylic acid carboxylic acid derivative pyran carboxylic acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound delta amino acid or derivatives oxane primary alcohol organoheterocyclic compound c-glucuronide alcohol pyran carboxylic acid or derivatives oxacycle monocarboxylic acid or derivatives phosphoric acid ester pyran monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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