| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:36 UTC |
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| Update Date | 2025-03-25 00:48:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166142 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O5 |
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| Molecular Mass | 264.0998 |
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| SMILES | CC1COc2c(O)cc(CC3CCC(=O)O3)cc2O1 |
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| InChI Key | JRXSUKDDBJXKTL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxanes |
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| Subclass | benzo-1,4-dioxanes |
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| Direct Parent | benzo-1,4-dioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxinstetrahydrofurans |
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| Substituents | benzo-1,4-dioxanecarbonyl groupethertetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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