| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:45 UTC |
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| Update Date | 2025-03-21 18:37:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114581 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C9H18NO5+ |
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| Molecular Mass | 220.1179 |
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| SMILES | C[N+](C)(C)CCOC(CC(=O)O)C(=O)O |
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| InChI Key | PTXRJQCETUJMDF-UHFFFAOYSA-O |
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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 | short-chain hydroxy acids and derivatives |
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| Direct Parent | short-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupethercarboxylic acidshort-chain hydroxy acidtetraalkylammonium saltquaternary ammonium saltfatty acidcarboxylic acid derivativedialkyl etherorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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