| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:59 UTC |
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| Update Date | 2025-03-21 17:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024258 |
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| Frequency | 161.0 |
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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)NCNC2=O |
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| InChI Key | CFBQAXXRLNXNIM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinazolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesaminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidscarboxylic acids and derivativesdiazanaphthaleneshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | organosulfonic acid or derivativeslactamamino acid or derivativesorganochlorideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundaryl chloridevinylogous amideazacycleaminosulfonyl compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearyl halidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compoundamine |
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