| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:25 UTC |
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| Update Date | 2025-03-25 00:58:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231970 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O9 |
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| Molecular Mass | 380.1107 |
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| SMILES | CC1=CC(=O)OC1Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | LQLRLLQQZLFFRZ-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 heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativesbutenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estersglucuronic acid derivativeshydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidealpha,beta-unsaturated carboxylic ester2-furanonebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compounddihydrofuranenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
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