| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:04 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237997 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6N2O4 |
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| Molecular Mass | 182.0328 |
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| SMILES | O=C(O)C=Cc1[nH]ncc1C(=O)O |
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| InChI Key | HBXUGOZNEOFPKJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazolesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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