| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:51 UTC |
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| Update Date | 2025-03-25 00:51:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184959 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H3N3 |
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| Molecular Mass | 105.0327 |
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| SMILES | N#Cc1cccnn1 |
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| InChI Key | PJESVVYWPFAJCS-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 | diazines |
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| Subclass | pyridazines and derivatives |
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| Direct Parent | pyridazines and derivatives |
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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 compoundazacyclepyridazineheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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