| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:31 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H24NO3+ |
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| Molecular Mass | 266.1751 |
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| SMILES | COc1ccc(CCC(=O)C[N+](C)(C)C)cc1OC |
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| InChI Key | KHHZKYCDNHXYCT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha-amino ketonesaminesanisolesdimethoxybenzeneshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
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| Substituents | phenol ethercarbonyl groupetheralkyl aryl etherketonedimethoxybenzeneorganic oxidephenylbutylaminealpha-aminoketoneo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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