| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:26:09 UTC |
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| Update Date | 2025-03-21 22:18:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00547265 |
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| Frequency | 3.0 |
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| Structure | |
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| Chemical Formula | C6H5N3 |
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| Molecular Mass | 119.0483 |
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| SMILES | Cc1cncc(C#N)n1 |
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| InChI Key | HKXUBMYIEQIRNT-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 | pyrazines |
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| Direct Parent | pyrazines |
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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 compoundazacyclepyrazineheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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