| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:04 UTC |
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| Update Date | 2025-03-25 00:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224594 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7FO4 |
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| Molecular Mass | 198.0328 |
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| SMILES | O=C(O)C(F)=Cc1ccc(O)c(O)c1 |
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| InChI Key | WGQROTWQNYNZPV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-halocarboxylic acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfluoroalkeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesvinyl fluorides |
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| Substituents | alpha-halocarboxylic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-halocarboxylic acidvinyl fluoridecarboxylic acid derivativeorganohalogen compoundorganic oxidefluoroalkeneorganofluoride1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenephenolhydrocarbon derivativebenzenoidorganooxygen compound |
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