| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:07 UTC |
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| Update Date | 2025-03-21 18:29:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076839 |
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| Frequency | 38.3 |
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| Structure | |
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| Chemical Formula | C6H5N5O2 |
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| Molecular Mass | 179.0443 |
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| SMILES | Nc1nnc2c(C(=O)O)c[nH]c2n1 |
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| InChI Key | AYWWDAIJUZUWNE-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2,4-triazines1-carboxy-2-haloaromatic compoundsamino acidsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundtriazinehydrocarbon derivativeprimary amineorganic nitrogen compoundpyrrole-3-carboxylic acid1,2,4-triazineamineorganooxygen compound |
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