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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H9FO5
Molecular Weight 192.1418
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Fluoroshikimic acid, (6S)-

SMILES

O[C@@H]1C=C([C@H](F)[C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=XFSMSJCDVCOESF-JGWLITMVSA-N
InChI=1S/C7H9FO5/c8-4-2(7(12)13)1-3(9)5(10)6(4)11/h1,3-6,9-11H,(H,12,13)/t3-,4+,5-,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H9FO5
Molecular Weight 192.1418
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
48P26AK8X8
Record Status Validated (UNII)
Record Version