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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17NO6
Molecular Weight 295.2879
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRUNASIN

SMILES

OC[C@H]1O[C@@H](O[C@@H](C#N)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=ZKSZEJFBGODIJW-GMDXDWKASA-N
InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H17NO6
Molecular Weight 295.2879
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
14W4BPM5FB
Record Status Validated (UNII)
Record Version