| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:51 UTC |
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| Update Date | 2025-03-25 00:48:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168966 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O2 |
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| Molecular Mass | 166.0742 |
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| SMILES | CC(C)C1OC(N)=C(C#N)C1=O |
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| InChI Key | CZJKPJFKVJLILT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dihydrofurans |
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| Subclass | furanones |
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| Direct Parent | furanones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesmonoalkylaminesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsvinylogous amidesvinylogous esters |
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| Substituents | vinylogous amidecarbonyl groupnitrilevinylogous estercyclic ketoneketoneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound3-furanonecarbonitrileorganooxygen compound |
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