| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:36 UTC |
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| Update Date | 2025-03-21 18:01:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035170 |
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| Frequency | 101.6 |
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| Structure | |
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| Chemical Formula | C9H13NO4S |
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| Molecular Mass | 231.0565 |
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| SMILES | NC(CSC1CC(O)C=CC1=O)C(=O)O |
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| InChI Key | VOBHKTZATPZQNC-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 | amino acids, peptides, and analogues |
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| Direct Parent | cysteine and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarboxylic acidscyclohexenonesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compounds |
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| Substituents | cyclohexenonecarbonyl groupcarboxylic acidcyclic ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compounddialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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