| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:41 UTC |
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| Update Date | 2025-03-21 18:38:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121626 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C9H18NO4+ |
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| Molecular Mass | 204.123 |
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| SMILES | CC(=O)OC(=O)CC(O)C[N+](C)(C)C |
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| InChI Key | OPTJBJNTYJIGPL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaminescarbonyl compoundscarboxylic acid anhydridescholinesdicarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouptetraalkylammonium salt1,2-aminoalcoholquaternary ammonium saltcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganic oxygen compoundcholineorganonitrogen compoundcarboxylic acid anhydridesecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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