| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:09 UTC |
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| Update Date | 2025-03-25 00:50:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178852 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O4S |
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| Molecular Mass | 302.0613 |
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| SMILES | COc1ccc(C2Sc3cccc(O)c3C(=O)C2O)cc1 |
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| InChI Key | SSOVEDQUWDZFIV-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 | thiochromanes |
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| Subclass | thioflavans |
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| Direct Parent | thioflavans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzothiopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkylarylthioethersanisolesaryl alkyl ketoneshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssecondary alcoholsthiopyransvinylogous acidsvinylogous thioesters |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralkylarylthioetheraryl thioether1-benzothiopyranketoneorganic oxidearomatic heteropolycyclic compoundalcoholvinylogous thioesterbenzothiopyran1-hydroxy-4-unsubstituted benzenoidthiopyranmethoxybenzenevinylogous acidthioflavanorganic oxygen compoundthioetheranisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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