| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:40 UTC |
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| Update Date | 2025-03-21 18:05:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056617 |
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| Frequency | 56.2 |
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| Structure | |
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| Chemical Formula | C11H14O4S |
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| Molecular Mass | 242.0613 |
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| SMILES | CC(C(=O)O)c1ccc(CS(C)(=O)=O)cc1 |
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| InChI Key | DCTYYODLQRKTIB-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidessulfones |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymeneorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoidsulfone |
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