| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:37 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157163 |
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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 | O=CC(CO)N=C(O)CCc1ccccc1 |
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| InChI Key | ZBMDNPJCXSHWGS-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 | aldehydescarboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholcarboximidic acidmonocyclic benzene moietycarbonyl groupaldehydeorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound |
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