Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:26 UTC |
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Update Date | 2025-03-21 18:35:08 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104042 |
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Frequency | 26.1 |
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Structure | |
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Chemical Formula | C12H13NO3 |
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Molecular Mass | 219.0895 |
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SMILES | CC(=O)NC(Cc1ccccc1)C(O)=C=O |
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InChI Key | CKQWFEJIVXOPRU-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 | phenethylamines |
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Direct Parent | amphetamines and derivatives |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | acetamidesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesynolates |
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Substituents | carbonyl groupcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundynolateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundamphetamine or derivatives |
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