| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:23 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202124 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O3S2 |
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| Molecular Mass | 258.0384 |
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| SMILES | CS(=O)CCSCC(=O)c1ccccc1O |
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| InChI Key | SJXXBTFITMTOTJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganooxygen compoundssulfenyl compoundssulfinyl compoundssulfoxidesvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonesulfenyl compounddialkylthioetherbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundaromatic homomonocyclic compoundvinylogous acidorganic oxidesulfinyl compoundthioethersulfoxidephenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
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