DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:08 UTC
Update Date	2025-03-25 00:57:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224749
Frequency	0.5
Structure
Chemical Formula	C₁₀H₉N₂O₄+
Molecular Mass	221.0557
SMILES	Nc1[nH][o+]c(-c2ccc(O)cc2)c1C(=O)O
InChI Key	QQSNOGPNPTUMGU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	phenols
Subclass	1-hydroxy-2-unsubstituted benzenoids
Direct Parent	1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids azacyclic compounds benzene and substituted derivatives carboxylic acids heteroaromatic compounds hydrocarbon derivatives isoxazoles monocarboxylic acids and derivatives organic cations organic oxides organooxygen compounds organopnictogen compounds oxacyclic compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound azole vinylogous amide azacycle heteroaromatic compound isoxazole oxacycle monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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