| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:58 UTC |
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| Update Date | 2025-03-25 00:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237766 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O10 |
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| Molecular Mass | 368.0743 |
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| SMILES | O=C1CC(OC2OC(C(=O)O)C(O)C(O)C2O)c2cc3c(cc21)OCO3 |
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| InChI Key | RMALQVCDOTWXEG-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 | acetalsaryl alkyl ketonesbenzodioxolesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesindanonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketoneo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundbenzodioxolealcoholpyran carboxylic acid or derivativesindanonehydroxy acidoxacyclemonocarboxylic acid or derivativespyranindanesecondary alcoholhydrocarbon derivativebenzenoidaryl ketone |
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