| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:42 UTC |
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| Update Date | 2025-03-25 00:48:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168616 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12F6O2 |
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| Molecular Mass | 302.0741 |
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| SMILES | CC(C)(O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 |
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| InChI Key | CSEZLCVYMXJDRZ-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesaromatic alcoholsfluorohydrinshydrocarbon derivativesorganofluoridestertiary alcohols |
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| Substituents | aromatic alcoholalcoholhalohydrinalkyl fluorideorganofluoridefluorohydrinorganohalogen compoundphenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundalkyl halidehydrocarbon derivativeorganooxygen compound |
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