| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:12:49 UTC |
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| Update Date | 2025-03-24 21:32:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01808013 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C42H46O26 |
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| Molecular Mass | 966.2277 |
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| SMILES | COc1ccc(C2OC(c3ccc(OC)c(OC4OC(C(=O)O)C(O)C(O)C4O)c3)CC(=O)c3c(OC4OC(C(=O)O)C(O)C(O)C4O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc32)cc1O |
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| InChI Key | VVLQOFILLSMZET-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 benzenoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoxepinesbeta hydroxy acids and derivativescarboxylic acidsdialkyl ethersglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketonebenzoxepineo-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic aciddialkyl etherketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclepyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundaryl ketone |
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