| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:08 UTC |
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| Update Date | 2025-03-21 18:06:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062478 |
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| Frequency | 49.6 |
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| Structure | |
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| Chemical Formula | C9H11N3 |
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| Molecular Mass | 161.0953 |
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| SMILES | NCCc1c[nH]c2cccnc12 |
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| InChI Key | USCHHUMFWCCWJD-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 | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundspyridines and derivativespyrroles |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compound |
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