| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:04 UTC |
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| Update Date | 2025-03-25 00:52:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194498 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H40NO2+ |
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| Molecular Mass | 350.3054 |
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| SMILES | CCCCCCCCCCCCCc1ccc[n+](CCC(O)CO)c1 |
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| InChI Key | DINHXEGLRQUMFX-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 | hydroxypyridines |
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| Direct Parent | hydroxypyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationprimary alcoholorganooxygen compound1,2-diol |
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