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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16O5
Molecular Weight 276.2845
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LACTUCIN

SMILES

[H][C@@]12[C@@H](O)CC(C)=C3C(=O)C=C(CO)[C@]3([H])[C@@]1([H])OC(=O)C2=C

InChI

InChIKey=VJQAFLAZRVKAKM-VZLIPTOUSA-N
InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3/t9-,12+,13-,14-/m0/s1

HIDE SMILES / InChI

Approval Year