| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:01 UTC |
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| Update Date | 2025-03-25 00:50:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183076 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO3S |
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| Molecular Mass | 261.046 |
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| SMILES | O=S1(=O)c2ccccc2NC(O)c2ccccc21 |
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| InChI Key | YKHFZWPUTQUMJL-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 | alkanolaminesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylaminessulfones |
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| Substituents | azacyclesecondary aminesecondary aliphatic/aromatic aminedibenzothiazepineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminesulfonealkanolamine |
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