| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:50 UTC |
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| Update Date | 2025-03-21 18:28:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073762 |
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| Frequency | 40.4 |
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| Structure | |
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| Chemical Formula | C8H6F2O4 |
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| Molecular Mass | 204.0234 |
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| SMILES | O=C(O)c1cc(OC(F)F)ccc1O |
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| InChI Key | QFAXLERBDMRONN-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl fluoridesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compoundsphenol ethersphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halide1-carboxy-2-haloaromatic compoundbenzoic acid4-alkoxyphenolalkyl fluorideorganofluoridearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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