| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:55 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205644 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10ClN3O3S |
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| Molecular Mass | 323.0131 |
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| SMILES | NS(=O)(=O)c1cc2c(cc1Cl)Nc1ccccc1C(=O)N2 |
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| InChI Key | AVVBAUUUFFPFTB-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 | benzodiazepines |
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| Subclass | dibenzodiazepines |
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| Direct Parent | dibenzodiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-benzodiazepines1,4-diazepinesamino acids and derivativesaminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessecondary aminessecondary 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 grouparyl halide1,4-benzodiazepinesecondary carboxylic acid amidesulfonylpara-diazepineorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativedibenzodiazepinebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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