| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:17 UTC |
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| Update Date | 2025-03-21 18:04:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053416 |
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| Frequency | 92.8 |
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| Structure | |
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| Chemical Formula | C14H11NO2S |
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| Molecular Mass | 257.051 |
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| SMILES | OC1=Nc2ccccc2SC1c1ccc(O)cc1 |
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| InChI Key | DCMKNMXHUHQCLE-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 | 1,4-thiazines1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersazacyclic compoundsbenzene and substituted derivativescyclic carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietypara-thiazineazacycle1-hydroxy-2-unsubstituted benzenoidbenzothiazineorganic 1,3-dipolar compoundalkylarylthioetheraryl thioetherpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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