| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:50 UTC |
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| Update Date | 2025-03-25 00:46:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155472 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12N2 |
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| Molecular Mass | 124.1 |
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| SMILES | Cc1cnn(C(C)C)c1 |
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| InChI Key | XBHHKVWZNGPYQD-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 derivativesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrazole |
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