| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:07 UTC |
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| Update Date | 2025-03-21 17:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011098 |
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| Frequency | 419.2 |
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| Structure | |
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| Chemical Formula | C6H7NO3S |
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| Molecular Mass | 173.0147 |
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| SMILES | O=C(O)C(=O)CCCN=C=S |
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| InChI Key | GLYYDHBAEZVSFI-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundisothiocyanatecarbonyl groupcarboxylic acidshort-chain keto acidorganic 1,3-dipolar compoundorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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