| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:11 UTC |
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| Update Date | 2025-03-25 00:54:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208537 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22NO2+ |
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| Molecular Mass | 236.1645 |
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| SMILES | CC(C(Cc1ccccc1)C(=O)O)[N+](C)(C)C |
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| InChI Key | VFBPLOLEDVRSBS-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 | aminesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidtetraalkylammonium salt3-phenylpropanoic-acidquaternary ammonium saltcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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