| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:13:03 UTC |
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| Update Date | 2025-03-24 21:32:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01808630 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C35H40O26 |
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| Molecular Mass | 876.1808 |
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| SMILES | O=C(O)C1OC(c2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)C(O)Cc2c(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc21 |
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| InChI Key | MUGJQZBPQFBYMQ-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoxepinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetracarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoxepineo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetracarboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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