| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:45 UTC |
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| Update Date | 2025-03-21 18:04:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052214 |
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| Frequency | 62.4 |
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| Structure | |
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| Chemical Formula | C17H15F2N3O4S |
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| Molecular Mass | 395.0751 |
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| SMILES | COc1ccnc(CS(=O)c2cnc3cc(OC(F)F)ccc3n2)c1OC |
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| InChI Key | VKCMNJDXTPZHBV-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 | quinoxalines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersalkyl fluoridesazacyclic compoundsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsphenol etherspolyhalopyridinespyrazinessulfinyl compoundssulfoxides |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl etherorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halide2-halopyridinequinoxalineazacyclealkyl fluorideorganofluorideheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundpyrazinesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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