| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:00 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 | DMID02183066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O6S2 |
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| Molecular Mass | 354.0232 |
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| SMILES | O=S(=O)(O)OC1Cc2ccc(O)cc2SC1c1ccc(O)cc1 |
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| InChI Key | ZQPJTWXXWMZWQO-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 sulfatesalkylarylthioethersbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoestersthiopyrans |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesbenzothiopyran1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherthiopyranaryl thioether1-benzothiopyranorganic oxidethioflavanorganic oxygen compoundaromatic heteropolycyclic compoundthioetheralkyl sulfatesulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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