| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:46 UTC |
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| Update Date | 2025-03-21 18:34:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099918 |
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| Frequency | 27.4 |
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| Structure | |
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| Chemical Formula | C11H12OS |
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| Molecular Mass | 192.0609 |
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| SMILES | C=CCSCC(=O)c1ccccc1 |
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| InChI Key | QGSIJILPPJCZSZ-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 | allyl sulfur compoundsaryl alkyl ketonesbenzoyl derivativesdialkylthioethershydrocarbon derivativesorganic oxidesorganooxygen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonesulfenyl compounddialkylthioetherallyl sulfur compoundbenzoylorganosulfur compoundaromatic homomonocyclic compoundorganic oxidethioetherhydrocarbon derivativebenzenoidalkyl-phenylketone |
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