| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:50 UTC |
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| Update Date | 2025-03-25 00:48:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18O8S |
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| Molecular Mass | 418.0722 |
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| SMILES | COc1cc(C2Oc3ccc4cccc(O)c4c3CC2OS(=O)(=O)O)ccc1O |
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| InChI Key | YRDZCEQTUKXPCL-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 | sulfated flavonoids |
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| Direct Parent | 3-sulfated flavonoids |
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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'-hydroxyflavonoidsalkyl aryl ethersalkyl sulfatesanisolesflavan-3-olshydrocarbon derivativesmethoxybenzenesmethoxyphenolsnaphthols and derivativesnaphthopyransorganic oxidesoxacyclic compoundsphenoxy compoundspyranssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundalkyl sulfatechromaneflavan-3-olorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3-sulfated flavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacyclenaphthopyrannaphthaleneorganic oxygen compoundpyrananisole4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivative1-naphtholbenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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