| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:45 UTC |
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| Update Date | 2025-03-25 00:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235034 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H14N2S |
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| Molecular Mass | 326.0878 |
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| SMILES | c1ccc2c(c1)N=C(c1c[nH]c3ccccc13)c1ccccc1S2 |
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| InChI Key | CAQZKWHGACRWTK-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 compoundsbenzenoidsdiarylthioethersheteroaromatic compoundshydrocarbon derivativesindolesketiminesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | ketimineazacycleindoleimineheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundaryl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepinearomatic heteropolycyclic compoundthioetherpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compounddiarylthioether |
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