| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:56 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219720 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9F3O3 |
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| Molecular Mass | 234.0504 |
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| SMILES | COC(=O)c1ccccc1C(O)C(F)(F)F |
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| InChI Key | DNPJXBZVRRSEPV-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesaromatic alcoholsbenzoyl derivativesfluorohydrinshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganofluoridessecondary alcohols |
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| Substituents | aromatic alcoholalcoholhalohydrinalkyl fluorideorganofluoridebenzoylbenzoate esterfluorohydrincarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholalkyl halidehydrocarbon derivativeorganooxygen compound |
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