| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:50 UTC |
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| Update Date | 2025-03-25 00:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8F2O2 |
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| Molecular Mass | 186.0492 |
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| SMILES | O=C(Cc1ccccc1)C(O)(F)F |
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| InChI Key | CNCOQLOEPXUTNR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl fluoridesalpha-haloketonesalpha-hydroxy ketoneshydrocarbon derivativesorganic oxidesorganofluorides |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupalkyl fluorideorganofluoridealpha-hydroxy ketoneorganohalogen compoundketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalpha-haloketonealkyl halidehydrocarbon derivativeorganooxygen compound |
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