| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:08 UTC |
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| Update Date | 2025-03-21 17:57:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008771 |
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| Frequency | 556.0 |
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| Structure | |
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| Chemical Formula | C12H19N2O2+ |
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| Molecular Mass | 223.1441 |
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| SMILES | C[N+](C)(C)CCOC(=O)c1ccc(N)cc1 |
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| InChI Key | BGYDOFIQGSUQKN-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundsprimary aminestetraalkylammonium salts |
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| Substituents | tetraalkylammonium saltamino acid or derivativesquaternary ammonium saltbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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