| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:12 UTC |
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| Update Date | 2025-03-21 18:02:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036625 |
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| Frequency | 96.5 |
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| Structure | |
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| Chemical Formula | C12H14O7S |
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| Molecular Mass | 302.046 |
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| SMILES | COc1cc(C=CC(=O)O)cc(OC)c1OS(C)(=O)=O |
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| InChI Key | PJDSIHHJBCWZLW-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 acidsdimethoxybenzeneshydrocarbon derivativesmethanesulfonatesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acid estersphenoxy compoundssulfonic acid esterssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativedimethoxybenzenesulfonic acid estercinnamic acid or derivativesorganic oxidemethoxybenzeneorganosulfonic acid esteraromatic homomonocyclic compoundmethanesulfonatemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesm-dimethoxybenzeneanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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