| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:02 UTC |
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| Update Date | 2025-03-25 00:56:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219927 |
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| Frequency | 0.5 |
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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 | COC(=O)CC(Cc1ccc(O)cc1)[N+](C)(C)C |
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| InChI Key | SWQFKCLHOMDFMW-UHFFFAOYSA-O |
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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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminesbenzene and substituted derivativescarbonyl compoundsfatty acid methyl estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylcarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesfatty acid methyl esterorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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