| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:28 UTC |
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| Update Date | 2025-03-25 01:00:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245874 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24O10S |
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| Molecular Mass | 432.109 |
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| SMILES | CC1C(OC(=O)C=Cc2ccc(O)c(OS(=O)(=O)O)c2)OC(C(O)O)C(C)C1C |
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| InChI Key | BFDAIQAIRLSYHG-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalscarbonyl compoundscarbonyl hydratesenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupsulfuric acid monoestercarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfatealpha,beta-unsaturated carboxylic esterorganic oxideacetalarylsulfateoxaneorganoheterocyclic compoundenoate esterorganic sulfuric acid or derivativeshydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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