| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:34 UTC |
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| Update Date | 2025-03-25 00:53:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H19NO8S |
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| Molecular Mass | 313.0831 |
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| SMILES | CC1(C)OC2C(CO)OC2(COS(N)(=O)=O)OCC1O |
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| InChI Key | VJKGWXCPVMROQO-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 | dialkyl ethershydrocarbon derivativesketalsorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativesoxacyclic compoundsoxetanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholetherorganic sulfuric acid or derivatives1,4-dioxepanedialkyl etheraliphatic heteropolycyclic compoundoxacycleorganic oxideorganic oxygen compoundacetalketaloxetanesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound |
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