| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:15 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23NO9S |
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| Molecular Mass | 381.1094 |
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| SMILES | CC(=O)OC1C2OC(C)(C)OC1C1(COS(N)(=O)=O)OC(C)(C)OC21 |
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| InChI Key | FGCRYIPLOAYTAS-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 | 1,3-dioxepanes |
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| Direct Parent | 1,3-dioxepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxanes1,3-dioxolanescarbonyl compoundscarboxylic acid estershydrocarbon derivativesketalsmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativesoxacyclic compounds |
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| Substituents | 1,3-dioxepanemeta-dioxolanecarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalketalcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundmeta-dioxaneorganooxygen compound |
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