| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:41:55 UTC |
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| Update Date | 2025-03-24 22:19:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01158703 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | O=C1CCC2OC2(CO)O1 |
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| InChI Key | HSLJGQAMRKGVOC-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-dioxepanesalcohols and polyolscarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | alcohol1,3-dioxepanecarbonyl groupdelta valerolactonecarboxylic acid derivativedioxepanelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeenol ester epoxideoxanedelta_valerolactoneorganooxygen compound |
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