| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:23 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183886 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18OS2 |
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| Molecular Mass | 254.0799 |
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| SMILES | OC(CCC1CCSS1)Cc1ccccc1 |
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| InChI Key | MUOGPHYQKSYLEW-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolaneshydrocarbon derivativesorganic disulfidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietyaromatic heteromonocyclic compound1,2-dithiolaneorganic oxygen compounddithiolaneorganic disulfidesecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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