| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:05:48 UTC |
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| Update Date | 2025-03-21 20:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00356733 |
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| Frequency | 5.3 |
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| Structure | |
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| Chemical Formula | C6H8N2O2 |
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| Molecular Mass | 140.0586 |
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| SMILES | NCc1c[nH]cc1C(=O)O |
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| InChI Key | XJJFVBPBIDCKGS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine1-carboxy-2-haloaromatic compoundorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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