| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:14 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20NO4+ |
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| Molecular Mass | 290.1387 |
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| SMILES | COc1ccc(C=C2C[N+](C)(C)C(CC(=O)O)C2=O)cc1 |
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| InChI Key | MLYOCEOJIHFKRB-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminesazacyclic compoundscarboxylic acidscyclic ketoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundspyrrolidine-3-onestetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-pyrrolidonecyclic ketonealkyl aryl ethercarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltpyrrolidinepyrrolidoneorganoheterocyclic compoundtetraalkylammonium saltazacyclen-alkylpyrrolidinequaternary ammonium saltmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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