| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:53 UTC |
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| Update Date | 2025-03-25 00:47:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162177 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO6S |
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| Molecular Mass | 235.0151 |
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| SMILES | O=C(O)C1OC(O)C(N=C=S)C(O)C1O |
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| InChI Key | MNTHJDMZIKIKHV-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | isothiocyanatecarbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxane1,2-diolalcoholpyran carboxylic acid or derivativesorganic 1,3-dipolar compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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