| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:40 UTC |
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| Update Date | 2025-03-25 00:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221396 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O14S |
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| Molecular Mass | 450.0104 |
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| SMILES | O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(OS(=O)(=O)O)oc3c2)C(O)C(O)C1O |
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| InChI Key | MAXVSLQLLYVGOK-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsarylsulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonescoumarins and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcoholssulfuric acid monoestersvinylogous acids |
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| Substituents | phenol ethersulfuric acid monoestercarbonyl groupcarboxylic acid1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranonearylsulfateoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidcoumarinoxacyclevinylogous acidmonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid ester |
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