| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:23 UTC |
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| Update Date | 2025-03-25 00:55:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213835 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14ClN3O5S |
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| Molecular Mass | 347.0343 |
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| SMILES | CCN(CC(=O)O)S(=O)(=O)c1cc2c(cc1Cl)NCNC2=O |
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| InChI Key | ZAAHXDVYEOCBHO-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 | alpha amino acidsamino acidsaminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthaleneshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidorganochloridealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridevinylogous amideazacycleaminosulfonyl compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compoundamine |
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