| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:19 UTC |
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| Update Date | 2025-03-25 00:53:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201987 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14OS |
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| Molecular Mass | 194.0765 |
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| SMILES | CSCC(=O)c1cc(C)ccc1C |
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| InChI Key | VVNASLXKNMWKJD-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 | aryl alkyl ketonesbenzoyl derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsp-xylenes |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonesulfenyl compounddialkylthioetherbenzoylorganosulfur compoundaromatic homomonocyclic compoundxyleneorganic oxidep-xylenethioetherhydrocarbon derivativebenzenoidalkyl-phenylketone |
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