| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:45 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219256 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12OS |
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| Molecular Mass | 168.0609 |
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| SMILES | COCCSc1ccccc1 |
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| InChI Key | ONVZBVAUSAELNQ-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 | thiophenols |
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| Subclass | thiophenols |
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| Direct Parent | thiophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzene and substituted derivativesdialkyl ethershydrocarbon derivativessulfenyl compoundsthiophenol ethers |
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| Substituents | monocyclic benzene moietyethersulfenyl compoundalkylarylthioetherorganosulfur compounddialkyl etheraryl thioetheraromatic homomonocyclic compoundthiophenolorganic oxygen compoundthioetherthiophenol etherhydrocarbon derivativeorganooxygen compound |
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