| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:48 UTC |
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| Update Date | 2025-03-21 18:31:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087927 |
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| Frequency | 32.3 |
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| Structure | |
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| Chemical Formula | C10H12OS |
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| Molecular Mass | 180.0609 |
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| SMILES | C=CCS(=O)c1ccc(C)cc1 |
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| InChI Key | LFVGJPZLPJBICF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenyl sulfoxides |
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| Direct Parent | phenyl sulfoxides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | allyl sulfur compoundshydrocarbon derivativesorganic oxidessulfinyl compoundssulfoxidestoluenes |
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| Substituents | allyl sulfur compoundorganosulfur compoundaromatic homomonocyclic compoundorganic oxidephenyl sulfoxideorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativetoluene |
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