| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:50 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219476 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O3S |
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| Molecular Mass | 242.0977 |
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| SMILES | COc1cc(CC(C)C(O)CS)ccc1O |
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| InChI Key | VULIIKYAZRFGSI-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkylthiolsanisoleshydrocarbon derivativesmethoxybenzenesorganosulfur compoundsphenoxy compoundsphenylpropanessecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundmethoxybenzenephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundalkylthiolorganooxygen compound |
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