| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:37 UTC |
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| Update Date | 2025-03-25 01:02:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17FO7 |
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| Molecular Mass | 328.0958 |
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| SMILES | O=C(Cc1ccc(F)cc1)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | XPBCZQLQXYTBAM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaryl fluoridescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesfluorobenzeneshydrocarbon derivativesorganic oxidesorganofluoridestertiary alcohols |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideorganofluoridecyclohexanolhydroxy acidaryl halidearomatic homomonocyclic compoundtertiary alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidhalobenzenequinic acid |
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