| 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 00:46:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154443 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H38NO4+ |
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| Molecular Mass | 404.2795 |
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| SMILES | COc1cc(C=CCC=CCCCCCCC(=O)OCC[N+](C)(C)C)ccc1O |
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| InChI Key | KCSWAERRXHQHTH-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 benzenoidsacyl cholinesalkyl aryl ethersaminesanisolescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esteracyl cholinehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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