| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:19 UTC |
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| Update Date | 2025-03-21 18:33:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093974 |
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| Frequency | 29.6 |
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| Structure | |
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| Chemical Formula | C13H10N2S |
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| Molecular Mass | 226.0565 |
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| SMILES | NC1=Nc2ccccc2Sc2ccccc21 |
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| InChI Key | HTGHLKRKXHUWOW-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 | amidinesazacyclic compoundsbenzenoidsdiarylthioethershydrocarbon derivativesimidolactamsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleorganic 1,3-dipolar compoundamidinearyl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepinearomatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamdiarylthioether |
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