| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:02 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155897 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H28NO3+ |
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| Molecular Mass | 258.2064 |
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| SMILES | C[N+](C)(C)CCCCCCC=CC(O)CC(=O)O |
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| InChI Key | QMSMRKONANPSRX-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 | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminesamino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium saltquaternary ammonium saltamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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