| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:38 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186821 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O4 |
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| Molecular Mass | 198.0641 |
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| SMILES | NCCc1c[nH]c(C(=O)O)c1C(=O)O |
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| InChI Key | KSDROABIWFMUEL-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 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganooxygen compound |
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