| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:56:22 UTC |
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| Update Date | 2025-03-25 01:38:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02470427 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7NO2 |
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| Molecular Mass | 113.0477 |
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| SMILES | NCC1=CC(=O)CO1 |
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| InChI Key | PNXASACQZLFLJH-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 derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsvinylogous esters |
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| Substituents | carbonyl groupvinylogous estercyclic ketoneketoneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound3-furanoneorganooxygen compound |
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