| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:22 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188460 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22O2S |
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| Molecular Mass | 266.1341 |
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| SMILES | CC(CSCc1ccc(C(C)(C)C)cc1)C(=O)O |
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| InChI Key | DZGMZBAIVQVVNX-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 | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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