| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:46 UTC |
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| Update Date | 2025-03-21 18:38:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121804 |
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| Frequency | 30.9 |
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| Structure | |
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| Chemical Formula | C18H19N3O4S |
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| Molecular Mass | 373.1096 |
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| SMILES | COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc(=O)c2c1 |
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| InChI Key | LLNHTOHCWRQDKF-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 | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrimidonessulfinyl compoundssulfoxidesvinylogous amides |
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| Substituents | phenol etheretherpolyhalopyridinepyrimidonealkyl aryl etherorganosulfur compoundpyrimidineorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compound |
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