Mrv1652304282205312D 18 18 0 0 0 0 999 V2000 -0.8612 4.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 4.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 5.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 4.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 4.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 4.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 5.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 2 12 1 0 0 0 0 1 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > NP0058152 > NP-MRD > CC(C)=CC(=O)\C=C(/C)CCCC1=CC(=O)OC1 > InChI=1S/C15H20O3/c1-11(2)7-14(16)8-12(3)5-4-6-13-9-15(17)18-10-13/h7-9H,4-6,10H2,1-3H3/b12-8+ > SZHJDXKBXJJFHM-XYOKQWHBSA-N > C15H20O3 > 248.322 > 248.141244504 > 2 > 38 > 28.19623237007697 > 1 > 0 > 0 > 1 > 4-[(4E)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-2,5-dihydrofuran-2-one > 3.12 > 3.639677977666667 > -3.55 > 0 > 1 > 0 > 7.474516046712447 > -3.7855518815769797 > 43.370000000000005 > 73.7294 > 6 > 1 > 7.02e-02 g/l > 4-[(4E)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-5H-furan-2-one > 0 > NP0058152 > (E)-Linifolone $$$$