| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:02:28 UTC |
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| Update Date | 2025-03-24 20:08:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01353094 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C41H44O26 |
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| Molecular Mass | 952.2121 |
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| SMILES | COc1ccc(C2CC(=O)c3c(OC4OC(C(=O)O)C(O)C(O)C4O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3C(c3ccc(O)c(O)c3)O2)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | NQEGLLHVDZCQQJ-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 derivativesmethoxybenzenesmonosaccharidesorganic 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 benzenoidmonosaccharidetricarboxylic 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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