Mrv1652309102215432D 20 19 0 0 1 0 999 V2000 3.3809 3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 2.5855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8414 2.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 2.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 -1.1270 0.0000 O 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 6 0 0 0 3 5 1 6 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 11 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 M END > NP0301011 > NP-MRD > CC(C)=CC[C@@H](OC(C)=O)C(\C)=C\CC[C@](C)(O)C=C > InChI=1S/C17H28O3/c1-7-17(6,19)12-8-9-14(4)16(20-15(5)18)11-10-13(2)3/h7,9-10,16,19H,1,8,11-12H2,2-6H3/b14-9+/t16-,17-/m1/s1 > INVDOMGOTJDZEO-RNWFHBDKSA-N > C17H28O3 > 280.408 > 280.203844762 > 2 > 48 > 32.566377348827515 > 1 > 1 > 0 > 1 > (5R,6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-yl acetate > 3.5175210709999982 > 0 > 0 > 0 > 18.45938790978595 > -1.2856629174283798 > 46.53 > 84.6762 > 9 > 1 > (5R,6E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-yl acetate > 0 > NP0301011 > (5r,6e,10s)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-5-yl acetate $$$$