| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:22 UTC |
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| Update Date | 2025-03-21 18:37:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116078 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C11H17N2O2+ |
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| Molecular Mass | 209.1285 |
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| SMILES | C[N+](C)(C)CC(=O)Nc1ccc(O)cc1 |
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| InChI Key | CRKQCWBTGQBWKM-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaminesanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltalpha-amino acid amidetetraalkylammonium saltquaternary ammonium saltcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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