| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:42 UTC |
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| Update Date | 2025-03-21 18:03:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045062 |
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| Frequency | 74.9 |
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| Structure | |
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| Chemical Formula | C7H10N2O |
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| Molecular Mass | 138.0793 |
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| SMILES | NCCc1ccc[n+]([O-])c1 |
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| InChI Key | KDGGKECMTYSONT-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 | pyridines and derivatives |
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| Direct Parent | pyridines and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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