| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:25 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163400 |
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| Frequency | 0.5 |
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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 | O=C(O)C(=O)CCCN=Cc1ccccc1 |
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| InChI Key | MYGQGFYANULDHL-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aldiminesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidimineorganic 1,3-dipolar compoundalpha-hydroxy ketonecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketonearomatic homomonocyclic compoundaldimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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