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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O9S
Molecular Weight 384.358
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-METHYLEPICATECHIN-4'-SULFATE

SMILES

COC1=C(OS(O)(=O)=O)C=CC(=C1)[C@H]2OC3=C(C[C@H]2O)C(O)=CC(O)=C3

InChI

InChIKey=QGMVQGQNIUVPMC-MLGOLLRUSA-N
InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-13(15)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16O9S
Molecular Weight 384.358
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
A77AGF90HJ
Record Status Validated (UNII)
Record Version