| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:04 UTC |
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| Update Date | 2025-03-25 01:01:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247297 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H28O16 |
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| Molecular Mass | 536.1377 |
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| SMILES | O=C(O)C1OC(OCC2(OC3OC(CO)C(O)C(O)C3O)Cc3cc(O)cc(O)c3O2)C(O)C(O)C1O |
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| InChI Key | WIMZQUWSBQFPHH-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 benzenoidsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumaransglucuronic acid derivativeshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundketaloxaneprimary alcoholorganoheterocyclic compoundcoumaranalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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