| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:47 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157506 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17FO9 |
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| Molecular Mass | 360.0857 |
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| SMILES | O=C(O)CCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1F |
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| InChI Key | KJZUZYKJHFHSLN-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaryl fluoridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfluorobenzenesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganofluoridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanoic acidspyran carboxylic acidssecondary alcohols |
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| Substituents | aryl fluoridephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acido-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidfluorobenzeneorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganofluoridehydroxy acidaryl halideoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidhalobenzenephenoxy compound |
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