| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:43 UTC |
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| Update Date | 2025-03-21 18:36:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112097 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C5H9N3 |
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| Molecular Mass | 111.0796 |
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| SMILES | Cn1cc(CN)cn1 |
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| InChI Key | KFTRXTSNTQSGNE-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 derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrazole |
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