| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:56:59 UTC |
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| Update Date | 2025-03-24 21:51:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01912310 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H4N2O2 |
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| Molecular Mass | 136.0273 |
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| SMILES | N#Cc1cc(C(=O)O)c[nH]1 |
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| InChI Key | UMRGIABRVCLTBF-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidenitrilecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidcarbonitrileorganooxygen compound |
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