| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:53 UTC |
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| Update Date | 2025-03-21 18:04:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047901 |
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| Frequency | 69.4 |
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| Structure | |
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| Chemical Formula | C17H20O9 |
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| Molecular Mass | 368.1107 |
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| SMILES | O=C1CCC(Cc2ccc(O)c(OC3C(O)C(O)C(O)C3C(=O)O)c2)O1 |
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| InChI Key | KBGHJGLOOZRGJT-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclopentanolsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclitol or derivativeshydroxy acidcyclic alcoholgamma butyrolactonecyclopentanoloxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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