| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:34 UTC |
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| Update Date | 2025-03-21 18:06:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063495 |
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| Frequency | 48.6 |
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| Structure | |
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| Chemical Formula | C22H24O12 |
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| Molecular Mass | 480.1268 |
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| SMILES | COc1cc(C2Oc3cc(O)cc(O)c3CC2OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O |
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| InChI Key | BVSUBJQDBAUBQZ-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-3-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'-o-methylated flavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscatechinsflavonoid-3-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acid1-benzopyrano-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalflavonoid-3-o-glucuronideflavonoid-3-o-glycosidecatechinoxaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidmethoxybenzeneanisole7-hydroxyflavonoidphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromanepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoid3p-methoxyflavonoid-skeletonoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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