Mrv1652309032205502D 22 24 0 0 1 0 999 V2000 3.3522 0.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0455 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 0.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 2.2034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2408 2.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0537 3.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 3.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 2.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8666 3.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6795 3.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 4.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 2.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9234 1.9923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4518 1.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 1.2179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7798 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2976 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 1.5698 0.0000 C 0 0 1 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 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 2 1 1 0 0 0 6 22 1 0 0 0 0 M END > NP0168118 > NP-MRD > CC(=O)O[C@H]1C[C@H]2O[C@]2(C)CC[C@@H]2[C@@H](OC(=O)C2=C)\C=C1\C > InChI=1S/C17H22O5/c1-9-7-14-12(10(2)16(19)21-14)5-6-17(4)15(22-17)8-13(9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7-/t12-,13-,14-,15+,17+/m0/s1 > PNIBQUGUMRDUIZ-GNETZPFGSA-N > C17H22O5 > 306.358 > 306.146723808 > 3 > 44 > 31.83955456011674 > 1 > 0 > 0 > 1 > (1S,4R,6R,8S,9Z,11S)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0^{4,6}]tetradec-9-en-8-yl acetate > 2.03 > 2.052905475666667 > -3.23 > 0 > 3 > 0 > -4.22348004539697 > 65.13 > 79.3303 > 2 > 1 > 1.81e-01 g/l > (1S,4R,6R,8S,9Z,11S)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0^{4,6}]tetradec-9-en-8-yl acetate > 0 > NP0168118 > (1s,4r,6r,8s,9z,11s)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-8-yl acetate $$$$