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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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:15:30 GMT 2023
Edited
by admin
on Sat Dec 16 18:15:30 GMT 2023
Record UNII
48P26AK8X8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Fluoroshikimic acid, (6S)-
Common Name English
1-CYCLOHEXENE-1-CARBOXYLIC ACID, 6-FLUORO-3,4,5-TRIHYDROXY-, (3R,4R,5S,6S)-
Systematic Name English
ZM-240401
Code English
1-CYCLOHEXENE-1-CARBOXYLIC ACID, 6-FLUORO-3,4,5-TRIHYDROXY-, (3R-(3.ALPHA.,4.ALPHA.,5.BETA.,6.ALPHA.))-
Systematic Name English
(3R,4R,5S,6S)-6-FLUORO-3,4,5-TRIHYDROXY-1-CYCLOHEXENE-1-CARBOXYLIC ACID
Systematic Name English
(6S)-6-FLUOROSHIKIMIC ACID
Common Name English
Code System Code Type Description
WIKIPEDIA
(6S)-6-Fluoroshikimic acid
Created by admin on Sat Dec 16 18:15:30 GMT 2023 , Edited by admin on Sat Dec 16 18:15:30 GMT 2023
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FDA UNII
48P26AK8X8
Created by admin on Sat Dec 16 18:15:30 GMT 2023 , Edited by admin on Sat Dec 16 18:15:30 GMT 2023
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PUBCHEM
10219767
Created by admin on Sat Dec 16 18:15:30 GMT 2023 , Edited by admin on Sat Dec 16 18:15:30 GMT 2023
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EPA CompTox
DTXSID101028206
Created by admin on Sat Dec 16 18:15:30 GMT 2023 , Edited by admin on Sat Dec 16 18:15:30 GMT 2023
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CAS
133398-72-8
Created by admin on Sat Dec 16 18:15:30 GMT 2023 , Edited by admin on Sat Dec 16 18:15:30 GMT 2023
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