Mrv1652304282205312D 18 18 0 0 0 0 999 V2000 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 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 O 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 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -2.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7639 -3.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5844 -3.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 -4.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 -2.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 -3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -3.0837 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 1 5 1 0 0 0 0 5 6 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 10 18 1 0 0 0 0 M END > NP0058154 > 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-WQLSENKSSA-N > C15H20O3 > 248.322 > 248.141244504 > 2 > 38 > 27.784074980236944 > 1 > 0 > 0 > 1 > 4-[(4Z)-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-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-5H-furan-2-one > 0 > NP0058154 > Z-7H-5-Dehydro-4-oxofarnesen-11,13-carbolactone $$$$