| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:16 UTC |
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| Update Date | 2025-03-21 18:04:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048763 |
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| Frequency | 67.8 |
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| Structure | |
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| Chemical Formula | C16H16O8S |
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| Molecular Mass | 368.0566 |
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| SMILES | COc1ccc(C2Oc3ccc(OS(=O)(=O)O)cc3CC2O)cc1O |
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| InChI Key | WDCIIROKBMUNQV-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 | o-methylated flavonoids |
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| Direct Parent | 4'-o-methylated 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'-hydroxyflavonoids3-hydroxyflavonoidsalkyl aryl ethersanisolesarylsulfatesflavan-3-olshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoesterether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundchromanearylsulfateflavan-3-olorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxacycleorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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