| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:27 UTC |
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| Update Date | 2025-03-21 18:37:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116270 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C22H23O10+ |
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| Molecular Mass | 447.1286 |
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| SMILES | COc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(CO)C(O)C(O)C2O)cc1 |
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| InChI Key | AUCQFGXXWSQEDA-UHFFFAOYSA-O |
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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 | anthocyanidin-3-o-glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-o-methylated flavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesanthocyanidinsflavonoid-3-o-glycosidesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic cationsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl etheranthocyanidin-3-o-glycosidesaccharideacetalaromatic heteropolycyclic compoundflavonoid-3-o-glycosideanthocyanidinorganic cationoxaneprimary alcoholorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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