Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:39:56 UTC |
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Update Date | 2025-03-25 00:46:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02155687 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H15NO3 |
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Molecular Mass | 221.1052 |
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SMILES | CC(=O)C(=O)NC(C)Cc1ccc(O)cc1 |
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InChI Key | REXUWRUDRUUBSJ-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 | 1-hydroxy-2-unsubstituted benzenoidscarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanessecondary carboxylic acid amides |
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Substituents | carbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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