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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20O10
Molecular Weight 384.3347
Optical Activity ( - )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Hydroxy-5-[[(2R)-tetrahydro-5-oxo-2-furanyl]methyl]phenyl β-D-glucopyranosiduronic acid

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC(O)=C2)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=RUSMDDXSDLDLKU-UWRBHNNFSA-N
InChI=1S/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9-,12+,13+,14-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H20O10
Molecular Weight 384.3347
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
BQU2HTE8QJ
Record Status Validated (UNII)
Record Version