| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:22 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163276 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5NO3S |
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| Molecular Mass | 170.999 |
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| SMILES | O=C(O)C1=C2CSC2C(=O)N1 |
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| InChI Key | RWNBLPNUBDJZHE-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspara thiazepinespyrroline 2-carboxylic acidssecondary carboxylic acid amidesthietanes |
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| Substituents | carbonyl grouplactamcarboxylic acidthietanealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycledialkylthioetherpyrroline carboxylic acid or derivativescarboxamide grouppyrroline 2-carboxylic acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidthioetherpara-thiazepinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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