| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:53 UTC |
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| Update Date | 2025-03-25 00:57:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226382 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O2S |
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| Molecular Mass | 210.0715 |
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| SMILES | CC(CS)(Cc1ccccc1)C(=O)O |
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| InChI Key | KALDYWVVPZENFX-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 | alkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsphenylpropanes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganosulfur compoundcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidalkylthiolorganooxygen compound |
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