| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:36 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150183 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H28O17 |
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| Molecular Mass | 636.1326 |
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| SMILES | O=C(O)C1OC(Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)c3c(O)cc(O)cc3c2-c2ccc(O)cc2)C(O)C(O)C1O |
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| InChI Key | BREFNZARXCTDSW-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 benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesnaphthols and derivativesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxane2-naphtholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclenaphthalenepyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivative1-naphtholbenzenoid |
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