| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:26 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234273 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9F3O2 |
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| Molecular Mass | 206.0555 |
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| SMILES | Oc1cccc(C(O)CC(F)(F)F)c1 |
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| InChI Key | PBTSDWIERIDTMX-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsalkyl fluoridesaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesorganofluoridessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyalkyl fluorideorganofluoride1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganohalogen compoundaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholalkyl halidehydrocarbon derivativeorganooxygen compound |
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