| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:10 UTC |
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| Update Date | 2025-03-25 00:50:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181190 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O3S |
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| Molecular Mass | 198.0351 |
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| SMILES | O=C(O)CC(O)c1ccc(S)cc1 |
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| InChI Key | OUOBJVCAULSTPW-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 alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsthiolsthiophenols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidarylthiolhydroxy acidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesthiophenolorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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