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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H14O5
Molecular Weight 202.2045
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Shikimic acid ethyl ester

SMILES

CCOC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1

InChI

InChIKey=ZZJSUXLVNPETPK-BWZBUEFSSA-N
InChI=1S/C9H14O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3,6-8,10-12H,2,4H2,1H3/t6-,7-,8-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Shikimic acid ethyl ester
Common Name English
1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, ethyl ester, [3R-(3α,4α,5β)]-
Systematic Name English
Ethyl shikimate
Systematic Name English
1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, ethyl ester, (3R,4S,5R)-
Systematic Name English
(3R,4S,5R)-ethyl 3,4,5-trihydroxycyclohex-1-enecarboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
9B6VG75HMG
Created by admin on Sat Dec 16 19:59:31 GMT 2023 , Edited by admin on Sat Dec 16 19:59:31 GMT 2023
PRIMARY
CAS
101769-63-5
Created by admin on Sat Dec 16 19:59:31 GMT 2023 , Edited by admin on Sat Dec 16 19:59:31 GMT 2023
PRIMARY
PUBCHEM
42643350
Created by admin on Sat Dec 16 19:59:31 GMT 2023 , Edited by admin on Sat Dec 16 19:59:31 GMT 2023
PRIMARY
NIH
NCATS
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