| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:15 UTC |
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| Update Date | 2025-03-25 00:46:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156373 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14NO2+ |
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| Molecular Mass | 168.1019 |
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| SMILES | C[n+]1cccc(CC(O)CO)c1 |
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| InChI Key | PWBPUTGMCAWTQU-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 | methylpyridines |
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| Direct Parent | n-methylpyridinium compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcoholn-methylpyridiniumaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationprimary alcoholorganooxygen compound1,2-diol |
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