Mrv1652304282205422D 16 16 0 0 1 0 999 V2000 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 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 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 1 13 1 0 0 0 0 7 14 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 M END > NP0058344 > NP-MRD > CC(C)[C@@H]1CCC(=C)C(=O)CCC(=C)\C=C\1 > InChI=1S/C15H22O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3/b8-5+/t14-/m0/s1 > DCXWDHRJJUEDIX-GPAKFWEMSA-N > C15H22O > 218.34 > 218.167065328 > 1 > 38 > 26.007201407555375 > 1 > 0 > 0 > 1 > (5E,7S)-4,10-dimethylidene-7-(propan-2-yl)cyclodec-5-en-1-one > 4.12 > 4.313835060333333 > -4.36 > 0 > 1 > 0 > -4.8238195099474135 > 17.07 > 70.17020000000001 > 1 > 1 > 9.45e-03 g/l > (5E,7S)-7-isopropyl-4,10-dimethylidenecyclodec-5-en-1-one > 1 > NP0058344 > 4(15),5E,10(14)-Germacratrien-1-one $$$$