| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:07 UTC |
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| Update Date | 2025-03-25 00:50:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183321 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O4 |
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| Molecular Mass | 168.0423 |
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| SMILES | O=C1C=CC(O)C2COC(=O)C12 |
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| InChI Key | ASJGUJIUCQXCOY-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 | carbonyl compounds |
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| Direct Parent | cyclohexenones |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcyclohexenonetetrahydrofurancarboxylic acid derivativegamma butyrolactonelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganoheterocyclic compound |
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