| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:40 UTC |
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| Update Date | 2025-03-25 00:48:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22NO2+ |
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| Molecular Mass | 212.1645 |
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| SMILES | CC(C)=CC=CC(=O)OCC[N+](C)(C)C |
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| InChI Key | QRWRCQGFTITNGD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | acyl cholines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | enoate esterfatty acylaliphatic acyclic compoundcarbonyl grouptetraalkylammonium saltcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteracyl cholineorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamineorganooxygen compound |
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