| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:03 UTC |
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| Update Date | 2025-03-25 01:02:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254019 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O3S |
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| Molecular Mass | 254.0977 |
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| SMILES | CC(Cc1ccc(CCS(C)=O)cc1)C(=O)O |
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| InChI Key | BLQAARMSYFCNOF-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanessulfinyl compoundssulfoxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganosulfur compoundcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativebenzenoidorganooxygen compound |
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