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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H14O5
Molecular Weight 298.2901
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XANOXIC ACID

SMILES

CC(C)OC1=CC2=C(OC3=CC=C(C=C3C2=O)C(O)=O)C=C1

InChI

InChIKey=NYKPKXPWOWUPJV-UHFFFAOYSA-N
InChI=1S/C17H14O5/c1-9(2)21-11-4-6-15-13(8-11)16(18)12-7-10(17(19)20)3-5-14(12)22-15/h3-9H,1-2H3,(H,19,20)

HIDE SMILES / InChI
Name Type Language
XANOXIC ACID
INN  
INN  
Official Name English
7-ISOPROPOXY-9-OXOXANTHENE-2-CARBOXYLIC ACID
Systematic Name English
xanoxic acid [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C319
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
Code System Code Type Description
CAS
33459-27-7
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
PRIMARY
EVMPD
SUB00094MIG
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104439
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
PRIMARY
PUBCHEM
38767
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
PRIMARY
SMS_ID
100000079330
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID40187107
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
PRIMARY
NCI_THESAURUS
C81676
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
PRIMARY
FDA UNII
S6V5I726MH
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
PRIMARY
INN
3780
Created by admin on Fri Dec 15 16:11:44 GMT 2023 , Edited by admin on Fri Dec 15 16:11:44 GMT 2023
PRIMARY