| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:24 UTC |
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| Update Date | 2025-03-25 00:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156712 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17FO7 |
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| Molecular Mass | 340.0958 |
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| SMILES | O=C1CCC(Cc2cccc(OC3OC(C(=O)O)C(O)C3F)c2)O1 |
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| InChI Key | JMHLUDAHVATENZ-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl fluoridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfluorohydrinsgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesorganofluoridesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidefluorohydrincarboxylic acid derivativeorganohalogen compoundlactonebeta-hydroxy acidsaccharideorganic oxideacetalalkyl halideorganoheterocyclic compoundalcoholtetrahydrofuranhalohydrinalkyl fluorideorganofluoridehydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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