| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:26 UTC |
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| Update Date | 2025-03-21 18:29:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075187 |
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| Frequency | 39.4 |
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| Structure | |
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| Chemical Formula | C20H20O12 |
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| Molecular Mass | 452.0955 |
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| SMILES | O=C1Oc2cc(O)cc(O)c2OC1c1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1 |
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| InChI Key | CBIURWIWSDIIMA-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 | phenylbenzo-1,4-dioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersbenzo-1,4-dioxanescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespara dioxinsphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneprimary alcoholalcohol2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxane1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxincarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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