| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:04 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201448 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O5S |
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| Molecular Mass | 242.0249 |
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| SMILES | COc1cc(S(=O)O)ccc1C=CC(=O)O |
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| InChI Key | ZZWOLIHOOKTTCW-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 | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsphenoxy compoundssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidsulfinic acid derivativealkyl aryl etherorganosulfur compoundcarboxylic acid derivativemethoxybenzenesulfinic acidaromatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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