| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:57 UTC |
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| Update Date | 2025-03-21 18:39:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124515 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C14H22NO3+ |
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| Molecular Mass | 252.1594 |
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| SMILES | C[N+](C)(C)CCOC(CC(=O)O)c1ccccc1 |
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| InChI Key | LFXGMVVZLRPJRI-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminesbenzyletherscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidbenzylethertetraalkylammonium salt3-phenylpropanoic-acidquaternary ammonium saltcarboxylic acid derivativedialkyl etheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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