| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:58 UTC |
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| Update Date | 2025-03-25 00:53:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O4 |
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| Molecular Mass | 184.0484 |
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| SMILES | NC(C(=O)O)c1c[nH]cc1C(=O)O |
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| InChI Key | KSKWBCMCSUUZMO-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundscarbonyl compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidsvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine1-carboxy-2-haloaromatic compoundorganic nitrogen compoundpyrrole-3-carboxylic acidorganoheterocyclic compoundorganooxygen compound |
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