| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:19 UTC |
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| Update Date | 2025-03-21 18:06:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065271 |
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| Frequency | 46.9 |
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| Structure | |
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| Chemical Formula | C13H22NO2+ |
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| Molecular Mass | 224.1645 |
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| SMILES | COc1cc(CC(C)[N+](C)(C)C)ccc1O |
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| InChI Key | QTFKBRUQRVPIRH-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 | methoxylated amphetamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaminesanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic cationsorganic saltsorganopnictogen compoundsphenoxy compoundsphenylpropanestetraalkylammonium salts |
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| Substituents | phenol etherether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherphenylpropaneorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltmethoxylated amphetaminequaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolephenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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