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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H25NO9
Molecular Weight 375.371
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SIMMONDSIN

SMILES

[H][C@@]2(O[C@@H]1C[C@H](OC)[C@H](OC)[C@@H](O)\C1=C\C#N)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

InChI

InChIKey=KURSRHBVYUACKS-XGYNEUJOSA-N
InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3+/t8-,9+,10-,11+,12-,13+,14-,15+,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H25NO9
Molecular Weight 375.371
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
O51H15R39K
Record Status Validated (UNII)
Record Version