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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O10
Molecular Weight 432.3775
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOLIQUIRITIGENIN GLUCURONIDE

SMILES

O[C@H]1[C@H](OC2=CC=C(\C=C\C(=O)C3=C(O)C=C(O)C=C3)C=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=RBHAALOTDVZRJY-DQYPHISWSA-N
InChI=1S/C21H20O10/c22-11-4-7-13(15(24)9-11)14(23)8-3-10-1-5-12(6-2-10)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h1-9,16-19,21-22,24-27H,(H,28,29)/b8-3+/t16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H20O10
Molecular Weight 432.3775
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
X87DCB9GST
Record Status Validated (UNII)
Record Version