Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:29 UTC |
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Update Date | 2025-03-21 18:35:09 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104173 |
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Frequency | 26.0 |
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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 | NCc1ccc(C(=O)O)[nH]1 |
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InChI Key | MLKBXEMBGLQJDE-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 | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivatives |
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Substituents | carboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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