| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:26 UTC |
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| Update Date | 2025-03-21 18:04:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049168 |
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| Frequency | 67.2 |
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| Structure | |
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| Chemical Formula | C11H14O2S |
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| Molecular Mass | 210.0715 |
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| SMILES | CSCc1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | PGRZAHLSKFWVJS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidessulfenyl compounds |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidsulfenyl compounddialkylthioetherp-cymeneorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidthioetherhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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