| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:59 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217501 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18S |
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| Molecular Mass | 206.1129 |
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| SMILES | C=CCSc1ccc(C(C)(C)C)cc1 |
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| InChI Key | RQQSDLCFFKIUHG-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersallyl sulfur compoundshydrocarbon derivativessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | sulfenyl compoundallyl sulfur compoundalkylarylthioetherorganosulfur compoundaryl thioetherphenylpropanearomatic homomonocyclic compoundthiophenolthioetherthiophenol etherhydrocarbon derivative |
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