| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:09:59 UTC |
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| Update Date | 2025-03-25 00:35:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02085986 |
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| Frequency | 0.6 |
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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=C1CCC2OC2O1 |
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| InChI Key | KBGNPJACRPUSGM-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 | epoxides |
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| Subclass | enol ester epoxides |
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| Direct Parent | enol ester epoxides |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxepanescarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | 1,3-dioxepanecarbonyl groupdelta valerolactonecarboxylic acid derivativedioxepanelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeenol ester epoxideoxanedelta_valerolactoneorganooxygen compound |
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