| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:40 UTC |
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| Update Date | 2025-03-25 00:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237114 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O2S |
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| Molecular Mass | 208.0558 |
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| SMILES | O=C(O)C(=Cc1ccccc1)CCS |
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| InChI Key | GORFHCZDHGPEPD-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 | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylthiolsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativebenzenoidalkylthiolorganooxygen compound |
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