Mrv1652304282205412D 17 17 0 0 1 0 999 V2000 2.4197 -0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8345 -0.5028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0326 0.2981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4381 0.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6363 1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.8998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0234 1.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2279 2.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 2.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0418 -0.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 -1.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 -1.4180 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 1 0 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 8 11 1 6 0 0 0 8 12 1 1 0 0 0 5 13 1 6 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 4 16 1 1 0 0 0 2 17 1 0 0 0 0 M END > NP0058320 > NP-MRD > CC(C)[C@H]1\C=C/[C@@](C)(O)CC\C=C(C)/C[C@H]1O > InChI=1S/C15H26O2/c1-11(2)13-7-9-15(4,17)8-5-6-12(3)10-14(13)16/h6-7,9,11,13-14,16-17H,5,8,10H2,1-4H3/b9-7-,12-6-/t13-,14-,15+/m1/s1 > COTULSIXXNFDDL-QHUGWVPLSA-N > C15H26O2 > 238.371 > 238.193280077 > 2 > 43 > 28.002701037453846 > 1 > 2 > 0 > 1 > (1S,2Z,4S,5R,7Z)-1,7-dimethyl-4-(propan-2-yl)cyclodeca-2,7-diene-1,5-diol > 3.05 > 2.724812270333332 > -2.83 > 0 > 1 > 0 > 19.848582297008 > 18.586922181238393 > -0.5706029763122061 > 40.46 > 73.9696 > 1 > 1 > 3.56e-01 g/l > (1S,2Z,4S,5R,7Z)-4-isopropyl-1,7-dimethylcyclodeca-2,7-diene-1,5-diol > 0 > NP0058320 > Angrendiol $$$$