| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:33 UTC |
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| Update Date | 2025-03-21 18:37:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114095 |
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| Frequency | 32.9 |
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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)c1c(O)ccc2nc[nH]c12 |
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| InChI Key | ARPZAVQSNDQBBK-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 acidsvinylogous amides |
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| Substituents | carboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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