| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:28 UTC |
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| Update Date | 2025-03-21 17:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016399 |
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| Frequency | 388.6 |
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| Structure | |
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| Chemical Formula | C13H9NOS |
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| Molecular Mass | 227.0405 |
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| SMILES | OC1=Nc2ccccc2Sc2ccccc21 |
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| InChI Key | RTERDTBXBYNZIS-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 | benzothiazepines |
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| Subclass | dibenzothiazepines |
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| Direct Parent | dibenzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscyclic carboximidic acidsdiarylthioethershydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleorganic 1,3-dipolar compoundaryl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepineorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compounddiarylthioether |
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