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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18O9
Molecular Weight 354.3087
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHLOROGENIC ACID, (Z)-

SMILES

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

InChI

InChIKey=CWVRJTMFETXNAD-XYXZIBEBSA-N
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14-,16+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
CHLOROGENIC ACID, (Z)-
Common Name English
CHLOROGENIC ACID Z-FORM [MI]
Common Name English
CIS-CHLOROGENIC ACID
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 3-(((2Z)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-1,4,5-TRIHYDROXY-, (1S,3R,4R,5R)-
Systematic Name English
Code System Code Type Description
CAS
15016-60-1
Created by admin on Sat Dec 16 08:24:28 UTC 2023 , Edited by admin on Sat Dec 16 08:24:28 UTC 2023
PRIMARY
FDA UNII
037SV4IVWA
Created by admin on Sat Dec 16 08:24:28 UTC 2023 , Edited by admin on Sat Dec 16 08:24:28 UTC 2023
PRIMARY
PUBCHEM
1794425
Created by admin on Sat Dec 16 08:24:28 UTC 2023 , Edited by admin on Sat Dec 16 08:24:28 UTC 2023
PRIMARY
CHEBI
75489
Created by admin on Sat Dec 16 08:24:28 UTC 2023 , Edited by admin on Sat Dec 16 08:24:28 UTC 2023
PRIMARY
MERCK INDEX
m3413
Created by admin on Sat Dec 16 08:24:28 UTC 2023 , Edited by admin on Sat Dec 16 08:24:28 UTC 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966