DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:44 UTC
Update Date	2025-03-25 01:02:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253332
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₅NO₉
Molecular Mass	329.0747
SMILES	O=C(O)C1OC(COc2ccc([N+](=O)[O-])cc2)C(O)C(O)C1O
InChI Key	HXDZYWGMPRXKOO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	glucuronic acid derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alkyl aryl ethers beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides nitroaromatic compounds nitrophenyl ethers organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers phenoxy compounds propargyl-type 1,3-dipolar organic compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound allyl-type 1,3-dipolar organic compound monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid dialkyl ether organic nitro compound propargyl-type 1,3-dipolar organic compound beta-hydroxy acid organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium oxane organoheterocyclic compound nitrobenzene nitroaromatic compound alcohol pyran carboxylic acid or derivatives organic 1,3-dipolar compound hydroxy acid oxacycle monocarboxylic acid or derivatives nitrophenyl ether pyran secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound organic hyponitrite

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