| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:18 UTC |
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| Update Date | 2025-03-25 00:46:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158677 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO5S |
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| Molecular Mass | 221.0358 |
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| SMILES | OC1COC(O)(CN=C=S)C(O)C1O |
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| InChI Key | MXWVATQUJOGAJM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | monosaccharides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | hemiacetalshydrocarbon derivativesisothiocyanatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholisothiocyanatemonosaccharideorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundoxacyclealiphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhemiacetalhydrocarbon derivativeorganic nitrogen compoundoxaneorganoheterocyclic compound |
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