| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:38 UTC |
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| Update Date | 2025-03-25 00:53:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200440 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28NO4+ |
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| Molecular Mass | 322.2013 |
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| SMILES | COc1ccc(C=CCCC(=O)OCC[N+](C)(C)C)cc1OC |
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| InChI Key | FCPGHCXNUUHHQH-UHFFFAOYSA-N |
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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 | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyl cholinesalkyl aryl ethersaminesanisolescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
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| Substituents | fatty acylphenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esteracyl cholinehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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