CHEBI:145963 - 3'-O-methyl-(-)-epicatechin-5-O-sulphate

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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 3'-O-methyl-(-)-epicatechin-5-O-sulphate
ChEBI ID CHEBI:145963
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C16H16O7S
Net Charge 0
Average Mass 352.360
Monoisotopic Mass 352.06167
InChI InChI=1S/C16H16O7S/c1-22-14-4-8(2-3-11(14)18)16-12(19)7-10-13(23-16)5-9(17)6-15(10)24(20)21/h2-6,12,16-19H,7H2,1H3,(H,20,21)
InChIKey OMVRUQZBAZIVBR-UHFFFAOYSA-N
SMILES S(O)(=O)C=1C=2CC(O)C(OC2C=C(O)C1)C3=CC(OC)=C(O)C=C3
ChEBI Ontology
Outgoing 3'-O-methyl-(-)-epicatechin-5-O-sulphate (CHEBI:145963) is a catechin (CHEBI:23053)
Manual Xref Database
HMDB0029176 HMDB accession
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