| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:33 UTC |
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| Update Date | 2025-03-25 00:59:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236829 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22NO3+ |
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| Molecular Mass | 252.1594 |
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| SMILES | COc1ccccc1C(=O)OC(C)C[N+](C)(C)C |
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| InChI Key | NCGKHKDJPCZCSM-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 | benzoic acids and derivatives |
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| Direct Parent | o-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminesanisolesbenzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundstetraalkylammonium salts |
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| Substituents | phenol etheretherbenzoylbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxideo-methoxybenzoic acid or derivativesorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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