| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:16 UTC |
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| Update Date | 2025-03-25 00:46:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156393 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H30N2O3+2 |
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| Molecular Mass | 262.2245 |
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| SMILES | C[N+](C)(C)CCOC(CCCC(=O)O)[N+](C)(C)C |
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| InChI Key | BGZKZXLQHVETJH-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 acidshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsstraight chain fatty acidstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidshort-chain hydroxy acidtetraalkylammonium saltquaternary ammonium saltfatty acidcarboxylic acid derivativehemiaminalorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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