DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:37 UTC
Update Date	2025-03-25 00:51:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186756
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇NO₇
Molecular Mass	299.1005
SMILES	Nc1cccc(C(=O)O)c1C1OC(CO)C(O)C(O)C1O
InChI Key	AKBRYMUGUDORPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	benzoic acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds amino acids benzoyl derivatives dialkyl ethers hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols primary amines secondary alcohols
Substituents	ether carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl monosaccharide carboxylic acid derivative dialkyl ether saccharide organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid oxane primary alcohol organoheterocyclic compound alcohol oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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