| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:10 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222565 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O5 |
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| Molecular Mass | 174.0528 |
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| SMILES | O=C1OC(C(O)CO)C2OCC12 |
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| InChI Key | XAXTUPPVYQXZBR-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 | 1,2-diolscarbonyl compoundscarboxylic acid estersdialkyl ethersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupethertetrahydrofuran1,4-dioxepanecarboxylic acid derivativedialkyl ethergamma butyrolactonelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanesecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
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