| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:03 UTC |
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| Update Date | 2025-03-25 00:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233391 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O4S |
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| Molecular Mass | 256.0769 |
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| SMILES | CS(=O)CCC(O)(Cc1ccccc1)C(=O)O |
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| InChI Key | AHXFCWNMKUJEOF-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 | alpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessulfinyl compoundssulfoxidestertiary alcoholsthia fatty acids |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidhydroxy acidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativehydroxy fatty acidbenzenoidorganooxygen compound |
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