| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:28 UTC |
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| Update Date | 2025-03-21 18:34:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101672 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C16H24NO4+ |
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| Molecular Mass | 294.17 |
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| SMILES | COc1ccc(C=CC(=O)OCC[N+](C)(C)C)cc1OC |
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| InChI Key | VADXVSKHHMCOPE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyl cholinesalkyl aryl ethersaminesanisolescarbonyl compoundsdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativedimethoxybenzenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltenoate estertetraalkylammonium saltquaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esteracyl cholinehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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