| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:05 UTC |
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| Update Date | 2025-03-21 18:38:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122578 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C6H6N2O3 |
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| Molecular Mass | 154.0378 |
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| SMILES | NC(=O)c1c[nH]c(C(=O)O)c1 |
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| InChI Key | VNYDKAIREOKTED-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 derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrole carboxamidesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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