| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:49:51 UTC |
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| Update Date | 2025-03-21 18:02:28 UTC |
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| HMDB ID | HMDB0127767 |
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| Metabolite Identification |
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| DeepMet ID | DMID00038212 |
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| Name | [2-methoxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid |
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| Frequency | 91.7 |
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| Structure | |
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| Chemical Formula | C16H16O9S |
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| Molecular Mass | 384.0515 |
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| SMILES | COc1cc(C2Oc3cc(O)cc(O)c3CC2O)ccc1OS(=O)(=O)O |
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| InChI Key | QGMVQGQNIUVPMC-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 | flavans |
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| Direct Parent | catechins |
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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 flavonoids3-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherphenylsulfateorganic oxidearomatic heteropolycyclic compoundchromanecatechinarylsulfateorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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