| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:23:56 UTC |
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| Update Date | 2025-03-24 21:36:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01834164 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H7N3 |
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| Molecular Mass | 121.064 |
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| SMILES | N#Cc1ccc(CN)[nH]1 |
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| InChI Key | SQQWBOPDZCMLNZ-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundshydrocarbon derivativesmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrile |
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