| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:58 UTC |
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| Update Date | 2025-03-21 18:35:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105363 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C11H13NO4S |
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| Molecular Mass | 255.0565 |
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| SMILES | NC(CSCc1ccccc1C(=O)O)C(=O)O |
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| InChI Key | HPMJTRJQPQTLQD-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 | 1-carboxy-2-haloaromatic compoundsalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidsulfenyl compounddialkylthioetherbenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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