| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:05 UTC |
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| Update Date | 2025-03-21 18:39:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127253 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C20H18O13 |
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| Molecular Mass | 466.0747 |
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| SMILES | O=C1OC(c2ccc(O)c(O)c2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c21 |
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| InChI Key | RKKOZPVNOQQKJR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxanes |
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| Subclass | phenylbenzodioxanes |
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| Direct Parent | phenylbenzodioxanes |
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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 derivativesbenzo-1,3-dioxanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeslactonesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxanealcoholphenylbenzodioxanepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidbenzo-1,3-dioxaneoxacyclevinylogous acidorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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