| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:37:15 UTC |
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| Update Date | 2025-03-21 17:57:37 UTC |
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| HMDB ID | HMDB0240485 |
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| Metabolite Identification |
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| DeepMet ID | DMID00009076 |
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| Name | Catechin 3'-sulfate |
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| Frequency | 534.2 |
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| Structure | |
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| Chemical Formula | C15H14O9S |
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| Molecular Mass | 370.0359 |
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| SMILES | O=S(=O)(O)Oc1cc(C2Oc3cc(O)cc(O)c3CC2O)ccc1O |
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| InChI Key | VBSMBNMUYITMLB-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'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoesterether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherphenylsulfateorganic oxidearomatic heteropolycyclic compoundchromanecatechinarylsulfateorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compound7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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