| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:46 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187131 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H30O3S |
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| Molecular Mass | 326.1916 |
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| SMILES | CC(C)(C)c1cc(C(C)(C)S(C)(=O)=O)cc(C(C)(C)C)c1O |
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| InChI Key | UEHXBPJKAWAIGD-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 | hydrocarbon derivativesorganic oxidesorganooxygen compoundsphenolssulfones |
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| Substituents | organosulfur compoundphenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compoundsulfone |
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