| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:30 UTC |
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| Update Date | 2025-03-21 18:28:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070534 |
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| Frequency | 42.6 |
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| Structure | |
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| Chemical Formula | C11H15NO2S |
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| Molecular Mass | 225.0824 |
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| SMILES | NC(CSCCc1ccccc1)C(=O)O |
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| InChI Key | RHAPIQQNFJCBPR-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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