| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:44 UTC |
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| Update Date | 2025-03-25 01:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248789 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H26NO5+ |
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| Molecular Mass | 312.1805 |
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| SMILES | COc1ccc(C(O)CC(=O)OCC[N+](C)(C)C)cc1OC |
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| InChI Key | ILSMCOQOWWFJSQ-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 ethersaminesanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | aromatic alcoholfatty acylphenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativedimethoxybenzenebeta-hydroxy acidorganic oxideo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium saltquaternary ammonium salthydroxy acidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholacyl cholinehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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