| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:26:18 UTC |
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| Update Date | 2025-03-24 22:13:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01121245 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C5H6O3 |
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| Molecular Mass | 114.0317 |
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| SMILES | O=C1OCC2COC12 |
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| InChI Key | KBYBIBUVTSPPSQ-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 | dioxepanes |
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| Subclass | 1,4-dioxepanes |
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| Direct Parent | 1,4-dioxepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdialkyl ethersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanestetrahydrofurans |
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| Substituents | carbonyl groupethertetrahydrofuran1,4-dioxepanecarboxylic acid derivativedialkyl ethergamma butyrolactonelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanehydrocarbon derivativeorganooxygen compound |
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