| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:38 UTC |
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| Update Date | 2025-03-21 18:38:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119149 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C26H28O17 |
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| Molecular Mass | 612.1326 |
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| SMILES | O=C(O)C1OC(Oc2cc3c(c(OC4OC(C(=O)O)C(O)C(O)C4O)c2)OC(c2ccc(O)cc2)CO3)C(O)C(O)C1O |
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| InChI Key | NHVYSWNBLCVWGU-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 benzenoidsacetalsalkyl aryl ethersbenzene and substituted derivativesbenzo-1,4-dioxanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespara dioxinsphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxanealcohol2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxanepyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpara-dioxinpyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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