Mrv1652309042213312D 22 24 0 0 1 0 999 V2000 5.0951 -1.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3518 -1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2047 -0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7749 0.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3871 -0.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0291 -1.1466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6253 -1.7168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7725 -2.5286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5900 -2.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9027 -3.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3979 -4.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 -3.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 -3.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5969 -3.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 -2.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 -3.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 -2.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -1.4266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6835 -1.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 -0.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2115 -1.0357 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 2 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 22 21 1 1 0 0 0 6 22 1 0 0 0 0 19 22 1 0 0 0 0 M END > NP0193951 > NP-MRD > CC(=O)O[C@H]1C\C(C)=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]12 > InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-13(10(2)16(19)21-14)12(8-9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12-,13-,14-,15-,17+/m0/s1 > ODYJJNFWFYUXSS-AFTKUYHXSA-N > C17H22O5 > 306.358 > 306.146723808 > 3 > 44 > 31.573848157282924 > 1 > 0 > 0 > 1 > (1S,2S,4R,7E,10S,11S)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0^{2,4}]tetradec-7-en-10-yl acetate > 2.1672562086666667 > 0 > 3 > 0 > -4.242048537578756 > 65.13 > 79.27510000000001 > 2 > 1 > (1S,2S,4R,7E,10S,11S)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0^{2,4}]tetradec-7-en-10-yl acetate > 0 > NP0193951 > (1s,2s,4r,7e,10s,11s)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-10-yl acetate $$$$