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CHEBI:149600 - 3'-methylepicatechin-7-sulfate

ChEBI IDCHEBI:149600
ChEBI Name3'-methylepicatechin-7-sulfate
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Submittermwilliams
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FormulaC16H16O9S
Net Charge0
Average Mass384.362
Monoisotopic Mass384.05150
SMILESCOc1cc([C@H]2Oc3cc(OS(=O)(=O)O)cc(O)c3C[C@H]2O)ccc1O
InChIInChI=1S/C16H16O9S/c1-23-15-4-8(2-3-11(15)17)16-13(19)7-10-12(18)5-9(6-14(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,16-/m1/s1
InChIKeyRIKCESGMRQZLKQ-CZUORRHYSA-N
ChEBI Ontology
Outgoing Relation(s)
3'-methylepicatechin-7-sulfate (CHEBI:149600) has functional parent (−)-epicatechin (CHEBI:90)
3'-methylepicatechin-7-sulfate (CHEBI:149600) is a catechin (CHEBI:23053)