| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:50 UTC |
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| Update Date | 2025-03-25 00:56:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221799 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NOS |
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| Molecular Mass | 179.0405 |
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| SMILES | OCC1=Nc2ccccc2SC1 |
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| InChI Key | JMFNHVZMXWIXNK-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-thiazinesalcohols and polyolsalkylarylthioethersazacyclic compoundsbenzenoidshydrocarbon derivativesketiminesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholketiminepara-thiazineazacycleiminebenzothiazineorganic 1,3-dipolar compoundalkylarylthioetheraryl thioetherpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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