| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:06 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | O=C(CO)C(O)N=C(O)CCc1ccccc1 |
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| InChI Key | TWPNHFHPEXZRAK-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 | alcohols and polyolsalkanolaminesalpha-hydroxy ketonescarboximidic acidshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholcarboximidic acidmonocyclic benzene moietycarbonyl groupmonosaccharideorganic 1,3-dipolar compoundalpha-hydroxy ketonepropargyl-type 1,3-dipolar organic compoundketonearomatic homomonocyclic compoundsaccharideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkanolamine |
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