| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:33:03 UTC |
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| Update Date | 2025-03-24 20:48:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01569989 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C8H5N3 |
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| Molecular Mass | 143.0483 |
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| SMILES | N#Cc1ccc2cn[nH]c2c1 |
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| InChI Key | QVGRVWCYOJDNQK-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 | benzopyrazoles |
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| Subclass | indazoles |
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| Direct Parent | indazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundspyrazoles |
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| Substituents | nitrileazacycleindazoleheteroaromatic compoundpyrazolearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzopyrazolecarbonitrileazole |
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