| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:23:19 UTC |
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| Update Date | 2025-03-24 21:09:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01690316 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C7H11NO2 |
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| Molecular Mass | 141.079 |
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| SMILES | CC(O)CC=CC(N)=C=O |
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| InChI Key | ZLPZWTLSGGSXGN-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 | hydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsynolates |
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| Substituents | aliphatic acyclic compoundorganic oxideynolateorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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