| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:49 UTC |
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| Update Date | 2025-03-25 00:50:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H14O3S |
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| Molecular Mass | 334.0664 |
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| SMILES | O=C1c2ccc(O)cc2Sc2ccccc2C1c1ccc(O)cc1 |
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| InChI Key | UYTGMLPRFYTSLR-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 | benzothiepins |
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| Subclass | dibenzothiepins |
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| Direct Parent | dibenzothiepins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesbenzene and substituted derivativesdiarylthioethershydrocarbon derivativesorganic oxidesorganooxygen compoundsvinylogous thioesters |
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| Substituents | vinylogous thioestermonocyclic benzene moietyaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidaryl thioetherketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundthioetherdibenzothiepinphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketonediarylthioether |
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