| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:43:07 UTC |
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| Update Date | 2025-03-21 17:59:38 UTC |
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| HMDB ID | HMDB0255323 |
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| Metabolite Identification |
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| DeepMet ID | DMID00022307 |
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| Name | (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid |
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| Frequency | 178.0 |
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| Structure | |
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| Chemical Formula | C16H22O7 |
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| Molecular Mass | 326.1366 |
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| SMILES | Cc1ccc(C(C)C)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | ADQJSAVCKZSGMK-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | monosaccharides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaromatic monoterpenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscumenesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanespyran carboxylic acidssecondary alcoholsterpene glycosidestoluenes |
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| Substituents | monoterpenoidphenol ethermonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronidemonosaccharidep-cymenecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidephenylpropanebeta-hydroxy acidorganic oxideacetalcumeneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesterpene glycosidehydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundtoluenearomatic monoterpenoid |
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