| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:13:10 UTC |
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| Update Date | 2025-03-21 20:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00373792 |
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| Frequency | 5.0 |
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| Structure | |
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| Chemical Formula | C5H5NO2S |
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| Molecular Mass | 143.0041 |
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| SMILES | O=C(O)C1CC1N=C=S |
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| InChI Key | AIEREQOREBDXCX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | cyclopropanecarboxylic acids and derivatives |
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| Direct Parent | cyclopropanecarboxylic acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | isothiocyanatecarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclopropanecarboxylic acidorganooxygen compound |
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