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

Details

Stereochemistry MIXED
Molecular Formula C14H14O5
Molecular Weight 262.258
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KHELLACTONE

SMILES

CC1(C)OC2=CC=C3C=CC(=O)OC3=C2C(O)C1O

InChI

InChIKey=HKXQUNNSKMWIKJ-UHFFFAOYSA-N
InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
KHELLACTONE
Common Name English
Code System Code Type Description
PUBCHEM
253856
Created by admin on Sat Dec 16 14:02:48 GMT 2023 , Edited by admin on Sat Dec 16 14:02:48 GMT 2023
PRIMARY
CAS
518-76-3
Created by admin on Sat Dec 16 14:02:48 GMT 2023 , Edited by admin on Sat Dec 16 14:02:48 GMT 2023
PRIMARY
FDA UNII
UR04OK5S60
Created by admin on Sat Dec 16 14:02:48 GMT 2023 , Edited by admin on Sat Dec 16 14:02:48 GMT 2023
PRIMARY