| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:08:12 UTC |
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| Update Date | 2025-03-24 22:30:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01223228 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C6H11N3 |
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| Molecular Mass | 125.0953 |
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| SMILES | NCc1ccc(CN)[nH]1 |
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| InChI Key | JQOUIJCIRIOZRN-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 derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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