| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:13 UTC |
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| Update Date | 2025-03-25 00:48:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169795 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H18NO4+ |
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| Molecular Mass | 192.123 |
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| SMILES | CCOC(=O)C(O)C(O)[N+](C)(C)C |
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| InChI Key | CIDDSFYGSDQYNS-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 | carbonyl compoundscarboxylic acid esterscholineshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupmonosaccharidecarboxylic acid derivativehemiaminalbeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalkanolaminealcoholtetraalkylammonium saltmonocarboxylic acid or derivativesorganic oxygen compoundcholinecarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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