CHEBI:175493 - 4'-O-Methyl-(-)-epicatechin-7-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 4'-O-Methyl-(-)-epicatechin-7-O-sulphate
ChEBI ID CHEBI:175493
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O7S
Net Charge 0
Average Mass 352.360
Monoisotopic Mass 352.06167
InChI InChI=1S/C16H16O7S/c1-22-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(24(20)21)6-15(10)23-16/h2-6,13,16-19H,7H2,1H3,(H,20,21)
InChIKey JENKBLJXTTYNTJ-UHFFFAOYSA-N
SMILES S(O)(=O)C=1C=C2OC(C(O)CC2=C(O)C1)C3=CC(O)=C(OC)C=C3
ChEBI Ontology
Outgoing 4'-O-Methyl-(-)-epicatechin-7-O-sulphate (CHEBI:175493) is a ether (CHEBI:25698)
4'-O-Methyl-(-)-epicatechin-7-O-sulphate (CHEBI:175493) is a flavonoids (CHEBI:72544)
IUPAC Name
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-7-sulinic acid
Manual Xrefs Databases
74849514 ChemSpider
HMDB0127892 HMDB
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