| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:39 UTC |
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| Update Date | 2025-03-25 00:56:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O6S |
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| Molecular Mass | 336.0668 |
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| SMILES | COc1c(O)cc(C2Sc3cc(O)cc(O)c3CC2O)cc1O |
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| InChI Key | HHTYFXRDIHUGJG-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 ethersalkylarylthioethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsphenoxy compoundsresorcinolssecondary alcoholsthiopyrans |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralkylarylthioetheraryl thioetherresorcinol1-benzothiopyranaromatic heteropolycyclic compoundalcoholbenzothiopyran1-hydroxy-4-unsubstituted benzenoidthiopyranmethoxybenzenethioflavanorganic oxygen compoundthioetheranisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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