| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:01 UTC |
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| Update Date | 2025-03-21 18:39:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127063 |
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| Frequency | 20.1 |
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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 | C[N+](C)(C)CCCC(O)c1ccc(O)cc1 |
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| InChI Key | HCEANFPUVOGTCW-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminesaromatic alcoholshydrocarbon derivativesorganic cationsorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aromatic alcoholalcoholtetraalkylammonium saltquaternary ammonium salt1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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