| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:17 UTC |
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| Update Date | 2025-03-25 00:50:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H12O3S |
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| Molecular Mass | 272.0507 |
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| SMILES | O=C1c2c(O)cccc2SCC1c1ccc(O)cc1 |
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| InChI Key | YQCDFBQGFZVPSQ-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 | thiochromanes |
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| Direct Parent | thiochromanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzothiopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylarylthioethersaryl alkyl ketonesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsthiopyransvinylogous acidsvinylogous thioesters |
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| Substituents | thiochromanevinylogous thioestermonocyclic benzene moietyaryl alkyl ketonebenzothiopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkylarylthioetherthiopyranaryl thioether1-benzothiopyranketonevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundthioetherphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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