| 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 | DMID02221781 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11NOS |
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| Molecular Mass | 253.0561 |
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| SMILES | OC1=NC(=Cc2ccccc2)Sc2ccccc21 |
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| InChI Key | IGAFZGLPVBPUJL-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 thioethersazacyclic compoundsbenzene and substituted derivativescyclic carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyazacyclebenzothiazineorganic 1,3-dipolar compoundaryl thioetherpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmeta-thiazinehydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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