| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:20 UTC |
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| Update Date | 2025-03-25 00:48:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165510 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22NO2+ |
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| Molecular Mass | 236.1645 |
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| SMILES | CCC(=O)OC(C[N+](C)(C)C)c1ccccc1 |
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| InChI Key | NIGUNAPIIDZPLC-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | benzyloxycarbonylcarbonyl grouptetraalkylammonium saltquaternary ammonium saltcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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