| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:04 UTC |
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| Update Date | 2025-03-25 00:55:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210669 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO3 |
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| Molecular Mass | 247.1208 |
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| SMILES | CC(=O)C=C(O)C(Cc1ccccc1)NC(C)=O |
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| InChI Key | ZFWSFMQGZYSWFZ-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 | acetamidesacryloyl compoundsbenzene and substituted derivativescarboxylic acids and derivativesenoneshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl groupalpha,beta-unsaturated ketonecarboxamide groupcarboxylic acid derivativeketonearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundacetamideorganooxygen compoundamphetamine or derivativesenone |
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