| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:46 UTC |
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| Update Date | 2025-03-21 18:28:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073595 |
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| Frequency | 80.4 |
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| Structure | |
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| Chemical Formula | C8H6N2O3 |
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| Molecular Mass | 178.0378 |
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| SMILES | O=C(O)c1cc2nc[nH]c2cc1O |
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| InChI Key | HQFOHVQYKTWMIN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | salicylic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsbenzimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous acids |
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| Substituents | carboxylic acidazacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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