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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14O9S
Molecular Weight 370.331
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPICATECHIN-3'-SULFATE

SMILES

O[C@@H]1CC2=C(O[C@@H]1C3=CC(OS(O)(=O)=O)=C(O)C=C3)C=C(O)C=C2O

InChI

InChIKey=VBSMBNMUYITMLB-IUODEOHRSA-N
InChI=1S/C15H14O9S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H14O9S
Molecular Weight 370.331
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
074D703K9R
Record Status Validated (UNII)
Record Version