| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:16 UTC |
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| Update Date | 2025-03-25 00:46:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158590 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5F3O2 |
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| Molecular Mass | 166.0242 |
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| SMILES | OC(c1ccco1)C(F)(F)F |
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| InChI Key | JXBLKXYDFYQLOD-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 | furans |
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| Subclass | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl fluoridesaromatic alcoholsfluorohydrinsheteroaromatic compoundshydrocarbon derivativesorganofluoridesoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholfuranaromatic heteromonocyclic compoundhalohydrinalkyl fluorideorganofluorideheteroaromatic compoundfluorohydrinorganohalogen compoundoxacycleorganic oxygen compoundsecondary alcoholalkyl halidehydrocarbon derivativeorganooxygen compound |
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