| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:49 UTC |
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| Update Date | 2025-03-21 18:32:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090315 |
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| Frequency | 31.2 |
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| Structure | |
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| Chemical Formula | C9H18NO2+ |
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| Molecular Mass | 172.1332 |
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| SMILES | C[N+]1(C)CCCCC(C(=O)O)C1 |
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| InChI Key | LLFQTBBZAJRXOT-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 | azepanes |
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| Subclass | azepanes |
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| Direct Parent | azepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidtetraalkylammonium saltazacyclequaternary ammonium saltcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesazepaneorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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