| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:45 UTC |
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| Update Date | 2025-03-25 00:53:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202928 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClNOS |
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| Molecular Mass | 198.9859 |
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| SMILES | O=C1NCc2cc(Cl)ccc2S1 |
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| InChI Key | HAWQHXKYGKAZLA-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 | benzothiazines |
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| Subclass | benzothiazines |
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| Direct Parent | benzothiazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-thiazinesaryl chloridesaryl thioethersazacyclic compoundsbenzenoidscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsthiolactones |
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| Substituents | aryl chloridecarbonyl groupcarbonic acid derivativeazacycleorganochloridebenzothiazineorganohalogen compoundaryl thioetheraryl halideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmeta-thiazinehydrocarbon derivativebenzenoidorganic nitrogen compoundthiolactoneorganooxygen compound |
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