| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:56 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O9 |
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| Molecular Mass | 340.0794 |
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| SMILES | O=C(O)C1OC(Oc2ccc3oc(CO)cc3c2)C(O)C(O)C1O |
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| InChI Key | CFDDJCQYVOILPY-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 | acetalsaromatic alcoholsbenzofuransbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfuransglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | aromatic alcoholfuranphenol ethercarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzofuranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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