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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24O12
Molecular Weight 480.4188
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-METHYLEPICATECHIN-7-GLUCURONIDE

SMILES

COC1=C(O)C=C(C=C1)[C@H]2OC3=C(C[C@H]2O)C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3

InChI

InChIKey=CJPIUMOCTBARLM-ZRRVXMDUSA-N
InChI=1S/C22H24O12/c1-31-14-3-2-8(4-12(14)24)19-13(25)7-10-11(23)5-9(6-15(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24O12
Molecular Weight 480.4188
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WMH2N885CL
Record Status Validated (UNII)
Record Version