| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:00 UTC |
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| Update Date | 2025-03-25 00:53:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198952 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O11S2 |
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| Molecular Mass | 385.9978 |
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| SMILES | COc1cc(C=CC(=O)O)cc(OC)c1O[SH](=O)(O)OS(=O)(=O)O |
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| InChI Key | BYSYHBIRGJJXLS-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 derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidorganic sulfuric acid or derivativesalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compounddimethoxybenzenecinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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