| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:57 UTC |
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| Update Date | 2025-03-21 18:06:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064424 |
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| Frequency | 47.7 |
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| Structure | |
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| Chemical Formula | C13H20NO2+ |
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| Molecular Mass | 222.1489 |
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| SMILES | CC(C(=O)O)c1ccc(C[N+](C)(C)C)cc1 |
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| InChI Key | AWKSXHWYMCGOLT-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 | aralkylaminesaromatic monoterpenoidsbenzylaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenylmethylaminestetraalkylammonium salts |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativearalkylamineorganic oxide2-phenylpropanoic-acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylmethylamineorganic oxygen compoundbenzylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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