| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:24 UTC |
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| Update Date | 2025-03-21 17:57:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009414 |
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| Frequency | 512.4 |
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| Structure | |
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| Chemical Formula | C8H10S |
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| Molecular Mass | 138.0503 |
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| SMILES | CSc1ccc(C)cc1 |
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| InChI Key | VHILIAIEEYLJNA-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 | alkylarylthioethershydrocarbon derivativessulfenyl compoundsthiophenol etherstoluenes |
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| Substituents | monocyclic benzene moietysulfenyl compoundalkylarylthioetherorganosulfur compoundaryl thioetheraromatic homomonocyclic compoundthiophenolthioetherthiophenol etherhydrocarbon derivativetoluene |
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