Mrv1652306242119513D 38 39 0 0 0 0 999 V2000 -3.4604 1.0776 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0422 -0.1367 -0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1026 -1.1893 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 -0.3831 0.1964 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0773 -1.5760 -0.5340 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3364 -1.8774 -0.1667 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2595 -0.7076 -0.1696 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0575 -0.6210 -1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 -0.9938 0.9049 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4406 0.0342 0.8132 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8566 1.3945 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 2.3799 0.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 1.5580 0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 2.8788 0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6399 0.5810 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 0.8487 0.0358 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7347 1.8779 -0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5186 1.2965 -0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7236 -1.0591 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7755 -1.0244 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7138 -2.2045 -0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5783 -0.6713 1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1365 -1.4843 -1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -2.4543 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3887 -2.4647 0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 -2.6009 -0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4349 -1.1279 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 -1.2217 -1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 0.4102 -1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 -0.8135 1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7106 -2.0122 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 -0.0889 1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1009 -0.1419 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0851 3.2129 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5827 3.6352 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 2.7218 1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9213 1.2910 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 1.6562 0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 4 1 0 0 0 0 15 7 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 1 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 M END > NP0013983 > NP-MRD > [H]C([H])=C(C([H])([H])[H])[C@]1([H])C([H])([H])C2=C(C(=O)C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H] > InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m0/s1 > KUFXJZXMWHNCEH-SWLSCSKDSA-N > C15H22O > 218.34 > 218.167065328 > 1 > 38 > 26.279216763106653 > 1 > 0 > 0 > 1 > (4aR,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one > 3.92 > 3.8083682056666674 > -3.41 > 0 > 2 > 0 > -4.788972738672884 > 17.07 > 67.87899999999999 > 1 > 1 > 8.41e-02 g/l > (4aR,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one > 1 > NP0013983 > Ent-α-Cyperone $$$$