Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:06 UTC |
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Update Date | 2025-03-21 18:35:26 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105681 |
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Frequency | 25.5 |
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Structure | |
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Chemical Formula | C12H20NO2+ |
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Molecular Mass | 210.1489 |
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SMILES | COc1ccc(CC[N+](C)(C)C)cc1O |
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InChI Key | REIMFKRWHOKOHQ-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 | phenols |
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Subclass | methoxyphenols |
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Direct Parent | methoxyphenols |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaminesanisoleshydrocarbon derivativesmethoxybenzenesorganic cationsorganic saltsorganopnictogen compoundsphenethylaminesphenoxy compoundstetraalkylammonium salts |
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Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherphenethylamineorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium salt1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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