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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H6O5
Molecular Weight 206.1516
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KHELLINONEQUINONE

SMILES

CC(=O)C1=C(O)C(=O)C2=C(C=CO2)C1=O

InChI

InChIKey=ITYREAMSZMEKKK-UHFFFAOYSA-N
InChI=1S/C10H6O5/c1-4(11)6-7(12)5-2-3-15-10(5)9(14)8(6)13/h2-3,13H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
KHELLINONEQUINONE
Common Name English
5-ACETYL-6-HYDROXY-4,7-BENZOFURANDIONE
Systematic Name English
4,7-BENZOFURANDIONE, 5-ACETYL-6-HYDROXY-
Systematic Name English
5-ACETYL-4,7-DIMETHOXY-6-HYDROXYBENZOFURAN
Systematic Name English
Code System Code Type Description
CAS
116754-42-8
Created by admin on Sat Dec 16 14:04:19 GMT 2023 , Edited by admin on Sat Dec 16 14:04:19 GMT 2023
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FDA UNII
WA39WCJ26H
Created by admin on Sat Dec 16 14:04:19 GMT 2023 , Edited by admin on Sat Dec 16 14:04:19 GMT 2023
PRIMARY