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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H12O3
Molecular Weight 228.2433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DEMETHOXYYANGONIN

SMILES

COC1=CC(=O)OC(\C=C\C2=CC=CC=C2)=C1

InChI

InChIKey=DKKJNZYHGRUXBS-BQYQJAHWSA-N
InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+

HIDE SMILES / InChI

Molecular Formula C14H12O3
Molecular Weight 228.2433
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
F2MBQ8QRUN
Record Status Validated (UNII)
Record Version