| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:54 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166850 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24O6S |
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| Molecular Mass | 380.1294 |
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| SMILES | CC(C)(C(=O)O)c1ccc(CSC2CC(O)C=CC2(O)CC(=O)O)cc1 |
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| InChI Key | VLXGYMOFZUAGDZ-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 acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholssulfenyl compoundstertiary alcoholsthia fatty acids |
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| Substituents | alcoholfatty acylcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidethia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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