| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:36:33 UTC |
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| Update Date | 2025-03-21 17:57:22 UTC |
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| HMDB ID | HMDB0240468 |
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| Metabolite Identification |
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| DeepMet ID | DMID00007399 |
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| Name | 4'-Methylepicatechin 5-sulfate |
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| Frequency | 682.3 |
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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(OS(=O)(=O)O)c3CC2O)cc1O |
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| InChI Key | JSNCQMRECHVQQQ-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'-hydroxyflavonoids3-hydroxyflavonoids4'-o-methylated flavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesarylsulfateshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundchromanecatechinarylsulfateorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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