| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:51:15 UTC |
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| Update Date | 2025-03-25 00:28:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02041333 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H5N3O2 |
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| Molecular Mass | 139.0382 |
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| SMILES | O=C(O)C=Cn1cncn1 |
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| InChI Key | XTWQKOCJHICKMF-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 | azoles |
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| Subclass | triazoles |
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| Direct Parent | triazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidetriazolecarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1,2,4-triazoleazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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