| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:05:22 UTC |
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| Update Date | 2025-03-25 00:34:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02074799 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C4H9NO2 |
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| Molecular Mass | 103.0633 |
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| SMILES | CC(O)CCN=O |
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| InChI Key | RTEZMEKTVVTZMS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | secondary alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitroso compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundorganic nitroso compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundsecondary alcoholorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeorganic nitrogen compound |
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