DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:21 UTC
Update Date	2025-03-25 00:51:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188449
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₇N₂O₉+
Molecular Mass	415.1711
SMILES	CC(Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c([N+](=O)[O-])c1)[N+](C)(C)C
InChI Key	OYJGWMBJBLPJFB-UHFFFAOYSA-O
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 amines amphetamines and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides nitroaromatic compounds nitrobenzenes organic cations organic oxides organic oxoanionic compounds organic oxoazanium compounds organic salts organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds phenylpropanes pyran carboxylic acids secondary alcohols tetraalkylammonium salts
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid organic nitro compound phenylpropane 1-o-glucuronide beta-hydroxy acid organic oxide acetal c-nitro compound organonitrogen compound organopnictogen compound organic cation organic oxoazanium oxane organic salt amphetamine or derivatives organoheterocyclic compound nitrobenzene nitroaromatic compound alcohol pyran carboxylic acid or derivatives tetraalkylammonium salt quaternary ammonium salt hydroxy acid oxacycle monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine organic hyponitrite

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