| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:41 UTC |
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| Update Date | 2025-03-21 18:29:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078224 |
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| Frequency | 37.4 |
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| Structure | |
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| Chemical Formula | C12H17NO3 |
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| Molecular Mass | 223.1208 |
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| SMILES | CC(O)C(=O)NC(CO)Cc1ccccc1 |
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| InChI Key | IASPAWAMYMXYDS-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholcarbonyl groupcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compoundamphetamine or derivatives |
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