| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:11 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240526 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5F3O3 |
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| Molecular Mass | 170.0191 |
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| SMILES | O=C1OCCC1(O)C(F)(F)F |
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| InChI Key | ZKHVKLXTSDRDBO-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 | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridescarbonyl compoundscarboxylic acid estersfluorohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesoxacyclic compoundstertiary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofuranhalohydrinalkyl fluorideorganofluoridefluorohydrincarboxylic acid derivativeorganohalogen compoundgamma butyrolactoneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundalkyl halidehydrocarbon derivativeorganooxygen compound |
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