| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:28 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220947 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H26O14 |
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| Molecular Mass | 550.1323 |
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| SMILES | O=C1CCC(C2c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OC(c3ccc(O)c(O)c3)C2O)O1 |
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| InChI Key | OGQXYZOHWFUDRM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | flavonoids |
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| Subclass | flavonoid glycosides |
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| Direct Parent | flavonoid-7-o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersalkyl glycosidesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscatechinsdicarboxylic acids and derivativesfatty acyl glycosides of mono- and disaccharidesflavonoid-7-o-glycosidesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalcatechinoxaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativecarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundchromaneflavonoid-7-o-glycosidepyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidgamma butyrolactoneoxacycleorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compoundalkyl glycoside |
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