| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:46 UTC |
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| Update Date | 2025-03-25 00:59:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239567 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H3N3 |
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| Molecular Mass | 93.0327 |
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| SMILES | N#Cc1ccn[nH]1 |
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| InChI Key | YMJLEPMVGQBLHL-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 | pyrazoles |
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| Direct Parent | pyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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