| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:34 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154853 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O14S |
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| Molecular Mass | 542.073 |
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| SMILES | COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | IKAWLINSECEOTM-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-glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-o-methylated flavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersalkyl sulfatesanisoleschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyranones and derivativessecondary alcoholssulfuric acid monoestersvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethersaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundalkyl sulfateflavonoid-3-o-glycosidepyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivativesheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidorganic oxygen compoundpyrananisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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