| 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 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178847 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O5S2 |
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| Molecular Mass | 352.0439 |
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| SMILES | COc1ccc(C2Sc3cc(O)cc(S(=O)O)c3CC2O)cc1 |
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| InChI Key | XKWWGXNMRPJTFY-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 benzenoidsalkyl aryl ethersalkylarylthioethersanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssecondary alcoholssulfinic acidsthiopyrans |
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| Substituents | phenol ethermonocyclic benzene moietyethersulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralkylarylthioetherorganosulfur compoundaryl thioethersulfinic acid1-benzothiopyranorganic oxidearomatic heteropolycyclic compoundalcoholbenzothiopyranthiopyranmethoxybenzenethioflavanorganic oxygen compoundthioetheranisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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