CHEBI:149589 - 4'-methylcatechin 3-sulfate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4'-methylcatechin 3-sulfate
ChEBI ID CHEBI:149589
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C16H16O9S
Net Charge 0
Average Mass 384.360
Monoisotopic Mass 384.05150
InChI InChI=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
InChIKey MTZDDADAYDKOAU-JKSUJKDBSA-N
SMILES C1=CC(=C(C=C1[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)OS(O)(=O)=O)O)OC
ChEBI Ontology
Outgoing 4'-methylcatechin 3-sulfate (CHEBI:149589) has functional parent catechin (CHEBI:23053)
4'-methylcatechin 3-sulfate (CHEBI:149589) is a hydroxyflavan (CHEBI:72010)