| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:10 UTC |
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| Update Date | 2025-03-25 00:49:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174268 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H42NO3+ |
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| Molecular Mass | 356.3159 |
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| SMILES | CCCCCCCCCC=CC(CC)OC(CC(=O)O)C[N+](C)(C)C |
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| InChI Key | FHVFCPISMFGJBD-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 ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupethercarboxylic acidshort-chain hydroxy acidtetraalkylammonium saltquaternary ammonium saltcarboxylic acid derivativedialkyl etherorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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