| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:24 UTC |
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| Update Date | 2025-03-25 00:46:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154453 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20NO4+ |
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| Molecular Mass | 254.1387 |
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| SMILES | COc1cc(CC(=O)C(O)[N+](C)(C)C)ccc1O |
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| InChI Key | CFPJNDBYAHJRRP-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 benzenoidsalkanolaminesalkyl aryl ethersalpha-hydroxy ketonesanisoleshydrocarbon derivativesmethoxybenzenesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalkanolaminetetraalkylammonium saltmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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