| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:12 UTC |
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| Update Date | 2025-03-25 01:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254353 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N2O2+ |
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| Molecular Mass | 209.1285 |
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| SMILES | CC(C)(C)C(O)[n+]1cccc(C(N)=O)c1 |
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| InChI Key | HBCLYQBYXYHJBT-UHFFFAOYSA-O |
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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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkanolaminesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesvinylogous amidearomatic heteromonocyclic compoundazacyclenicotinamideheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compoundalkanolamine |
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