| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:36 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182173 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20O10 |
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| Molecular Mass | 420.1056 |
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| SMILES | O=C(O)C1OC(c2cc(O)cc3c2OCC(c2ccc(O)cc2)O3)C(O)C(O)C1O |
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| InChI Key | XQZCQUOTXJAEPG-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 benzenoidsalkyl aryl ethersbenzene and substituted derivativesbenzo-1,4-dioxanesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespara dioxinspyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundoxanec-glucuronidealcohol2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxanepyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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