| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:28 UTC |
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| Update Date | 2025-03-21 18:34:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101678 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C9H7FO2 |
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| Molecular Mass | 166.043 |
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| SMILES | O=C(O)C(F)=Cc1ccccc1 |
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| InChI Key | QONCEXMULRJPPY-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 | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-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 acidorganofluoridealpha-halocarboxylic acidvinyl fluoridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativebenzenoidfluoroalkeneorganooxygen compound |
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