| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:00 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167078 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18NO3+ |
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| Molecular Mass | 236.1281 |
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| SMILES | CC(C(=O)O)c1ccc(C(=O)[N+](C)(C)C)cc1 |
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| InChI Key | TWWREZARMMQWAC-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 | aromatic monoterpenoidsbenzoic acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidbenzoylbenzoic acid or derivativesp-cymenecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compoundaromatic monoterpenoid |
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