| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:22 UTC |
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| Update Date | 2025-03-21 18:40:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130337 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C8H8ClN3O3S |
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| Molecular Mass | 260.9975 |
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| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CN2 |
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| InChI Key | PFDZQDBGVTWPQE-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chlorideazacycleaminosulfonyl compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearyl halidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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