| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:27 UTC |
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| Update Date | 2025-03-21 18:01:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034790 |
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| Frequency | 103.1 |
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| Structure | |
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| Chemical Formula | C15H16O13S |
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| Molecular Mass | 436.0312 |
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| SMILES | O=C(C=Cc1ccc(O)c(OS(=O)(=O)O)c1)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | XBUGAVRQTTXYEX-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsphenylsulfatespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivatives1-o-glucuronidephenylsulfatealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetalarylsulfateoxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidhydroxycinnamic acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid ester |
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