| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:43 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187016 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O6S |
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| Molecular Mass | 300.0668 |
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| SMILES | CC(C(=O)O)c1ccc(C(CC(=O)O)S(C)(=O)=O)cc1 |
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| InChI Key | QIOGDHLZFYCEFK-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidessulfones |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymeneorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compound2-phenylpropanoic-aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoidsulfone |
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