| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:30 UTC |
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| Update Date | 2025-03-25 00:54:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H28O13 |
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| Molecular Mass | 536.153 |
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| SMILES | O=C1OC(Cc2cccc(O)c2)C(O)C(O)C1Cc1cc(OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O |
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| InChI Key | APIQYQMGWZBETA-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 benzenoids1-hydroxy-4-unsubstituted benzenoids4-alkoxyphenolsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compounddelta valerolactoneo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxanedelta_valerolactoneorganoheterocyclic compoundalcohol4-alkoxyphenolpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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