| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:54:09 UTC |
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| Update Date | 2025-03-21 18:04:07 UTC |
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| HMDB ID | HMDB0240466 |
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| Metabolite Identification |
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| DeepMet ID | DMID00048499 |
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| Name | 4'-Methylepicatechin 3'-sulfate |
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| Frequency | 68.3 |
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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 | COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OS(=O)(=O)O |
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| InChI Key | PCLCJMJFLFTHDU-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-hydroxyflavonoids4'-o-methylated flavonoids5-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 benzenoidmethoxybenzeneoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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