Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:53 UTC |
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Update Date | 2025-03-21 18:02:51 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00040624 |
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Frequency | 85.0 |
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Structure | |
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Chemical Formula | C9H12S |
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Molecular Mass | 152.066 |
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SMILES | CSc1cc(C)ccc1C |
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InChI Key | GUMBTPYGNZMDCU-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 ethersp-xylenes |
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Substituents | monocyclic benzene moietysulfenyl compoundalkylarylthioetherorganosulfur compoundaryl thioetheraromatic homomonocyclic compoundxylenep-xylenethiophenolthioetherthiophenol etherhydrocarbon derivative |
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