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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-3'-GLUCURONIDE

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(C=C1)[C@H]3OC4=C(C[C@H]3O)C(O)=CC(O)=C4

InChI

InChIKey=PSOMCIRLFFROES-FDRKUGEKSA-N
InChI=1S/C22H24O12/c1-31-13-3-2-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)4-15(13)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,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
2DF93P5FJY
Record Status Validated (UNII)
Record Version