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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H12O6
Molecular Weight 288.2522
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VIOLACEIC ACID

SMILES

COC1=CC(=CC=C1OC2=CC=C(C=O)C=C2O)C(O)=O

InChI

InChIKey=FXAPIKRPPXOWOW-UHFFFAOYSA-N
InChI=1S/C15H12O6/c1-20-14-7-10(15(18)19)3-5-13(14)21-12-4-2-9(8-16)6-11(12)17/h2-8,17H,1H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C15H12O6
Molecular Weight 288.2522
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:46:28 GMT 2023
Edited
by admin
on Fri Dec 15 19:46:28 GMT 2023
Record UNII
3N80QP5T5G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VIOLACEIC ACID
Common Name English
BENZOIC ACID, 4-(4-FORMYL-2-HYDROXYPHENOXY)-3-METHOXY-
Systematic Name English
Code System Code Type Description
CAS
81827-48-7
Created by admin on Fri Dec 15 19:46:28 GMT 2023 , Edited by admin on Fri Dec 15 19:46:28 GMT 2023
PRIMARY
FDA UNII
3N80QP5T5G
Created by admin on Fri Dec 15 19:46:28 GMT 2023 , Edited by admin on Fri Dec 15 19:46:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID10231409
Created by admin on Fri Dec 15 19:46:28 GMT 2023 , Edited by admin on Fri Dec 15 19:46:28 GMT 2023
PRIMARY
PUBCHEM
157998
Created by admin on Fri Dec 15 19:46:28 GMT 2023 , Edited by admin on Fri Dec 15 19:46:28 GMT 2023
PRIMARY