| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:53:02 UTC |
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| Update Date | 2025-03-24 18:00:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01041465 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CC1(C)OC2COC(=O)C21 |
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| InChI Key | PWGMCCOWOMXQPS-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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