| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:12 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153989 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N2O3+ |
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| Molecular Mass | 253.1547 |
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| SMILES | COc1cccc(OC)c1NC(=O)C[N+](C)(C)C |
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| InChI Key | SFCDFUACAHOBPI-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 | alkyl aryl ethersalpha amino acidsaminesanilidesanisolescarbonyl compoundscarboxylic acids and derivativesdimethoxybenzeneshydrocarbon derivativesn-arylamidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethern-arylamidealkyl aryl etherdimethoxybenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltalpha-amino acid amidetetraalkylammonium saltquaternary ammonium saltcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundm-dimethoxybenzeneanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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