| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:06 UTC |
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| Update Date | 2025-03-25 00:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H44NO5+ |
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| Molecular Mass | 414.3214 |
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| SMILES | CCCCCCCCCCCCCC=CC(=O)OC(C(=O)O)C(O)C[N+](C)(C)C |
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| InChI Key | ZCIIMWBIULXOPN-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 | 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 acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxy fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltenoate esteralcoholtetraalkylammonium salt1,2-aminoalcoholquaternary ammonium saltfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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