| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:59 UTC |
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| Update Date | 2025-03-21 18:39:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127020 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C11H12O4S |
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| Molecular Mass | 240.0456 |
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| SMILES | O=C(O)CSC(Cc1ccccc1)C(=O)O |
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| InChI Key | UYOWLFCNZKLFFR-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compoundsthiodiacetic acid derivatives |
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| Substituents | monocyclic benzene moietythiodiacetic_acidcarbonyl groupcarboxylic acidsulfenyl compound3-phenylpropanoic-aciddialkylthioetherorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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