U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H14O9
Molecular Weight 326.2556
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-GALLOYLSHIKIMIC ACID

SMILES

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

InChI

InChIKey=NTNQTAISNHFKRA-CKYFFXLPSA-N
InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5-GALLOYLSHIKIMIC ACID
Common Name English
BENZOIC ACID, 3,4,5-TRIHYDROXY-, (1R,5R,6R)-3-CARBOXY-5,6-DIHYDROXY-3-CYCLOHEXEN-1-YL ESTER
Systematic Name English
Code System Code Type Description
CAS
95719-51-0
Created by admin on Sat Dec 16 11:01:26 GMT 2023 , Edited by admin on Sat Dec 16 11:01:26 GMT 2023
PRIMARY
FDA UNII
9XEH2JM56J
Created by admin on Sat Dec 16 11:01:26 GMT 2023 , Edited by admin on Sat Dec 16 11:01:26 GMT 2023
PRIMARY
PUBCHEM
460897
Created by admin on Sat Dec 16 11:01:26 GMT 2023 , Edited by admin on Sat Dec 16 11:01:26 GMT 2023
PRIMARY