| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:58 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155757 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O4S |
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| Molecular Mass | 300.0456 |
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| SMILES | CSc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1 |
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| InChI Key | YNEFKSBJXITMKQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | isoflavonoids |
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| Subclass | isoflav-2-enes |
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| Direct Parent | isoflavones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylarylthioethersbenzene and substituted derivativeschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfenyl compoundsthiophenol ethersthiophenolsvinylogous acids |
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| Substituents | monocyclic benzene moiety1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidethiophenolchromonearomatic heteropolycyclic compoundthiophenol etherpyranoneorganoheterocyclic compoundisoflavonebenzopyransulfenyl compoundheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundthioetherpyranphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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