| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:01 UTC |
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| Update Date | 2025-03-21 18:29:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076598 |
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| Frequency | 38.4 |
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| Structure | |
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| Chemical Formula | C17H20O12S |
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| Molecular Mass | 448.0675 |
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| SMILES | COc1cc(C=CC(=O)OC2C(O)CC(O)(C(=O)O)CC2O)ccc1OS(=O)(=O)O |
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| InChI Key | SBZWLHDUGXDYPG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscinnamic acids and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesterstertiary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativephenylsulfatealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidearylsulfateenoate esterorganic sulfuric acid or derivativescyclohexanolhydroxy acidmethoxybenzenearomatic homomonocyclic compoundfatty acid estertertiary alcoholanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterquinic acid |
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