Mol:Osthole
From Metabolomics.JP
ACD/Labs11200718112D 18 19 0 0 0 0 0 0 0 0 1 V2000 29.0177 -7.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0177 -8.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8658 -6.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8658 -9.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7140 -7.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7140 -8.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3214 -7.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3214 -8.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1695 -6.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1695 -9.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5622 -6.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4732 -6.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8658 -5.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7139 -4.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7139 -3.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4104 -7.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5621 -2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8658 -2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 5 11 1 0 0 0 0 7 12 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 S SKP 5 ID Osthole FORMULA C15H16O3 EXACTMASS 244.109944378 AVERAGEMASS 244.28574 SMILES CC(C)=CCc(c(OC)1)c(O2)c(C=CC(=O)2)cc1 M END