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CHEBI:149589 - 4'-methylcatechin 3-sulfate

ChEBI IDCHEBI:149589
ChEBI Name4'-methylcatechin 3-sulfate
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Submittermwilliams
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FormulaC16H16O9S
Net Charge0
Average Mass384.362
Monoisotopic Mass384.05150
SMILESCOc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2OS(=O)(=O)O)cc1O
InChIInChI=1S/C16H16O9S/c1-23-13-3-2-8(4-12(13)19)16-15(25-26(20,21)22)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,15-19H,7H2,1H3,(H,20,21,22)/t15-,16+/m0/s1
InChIKeyMTZDDADAYDKOAU-JKSUJKDBSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-methylcatechin 3-sulfate (CHEBI:149589) has functional parent catechin (CHEBI:23053)
4'-methylcatechin 3-sulfate (CHEBI:149589) is a hydroxyflavan (CHEBI:72010)