| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:29 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156890 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7N3O2 |
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| Molecular Mass | 189.0538 |
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| SMILES | O=C(O)c1cn(-c2ccccc2)nn1 |
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| InChI Key | IVDBIFHDJPMBFG-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 | phenyl-1,2,3-triazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstriazole carboxylic acidsvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundphenyl-1,2,3-triazolecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compound1,2,3-triazole carboxylic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound1,2,3-triazole carboxylic acid |
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