Mrv1652304282211222D 22 22 0 0 1 0 999 V2000 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 -0.0000 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 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 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 2.2534 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 -0.6996 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 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 6 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 14 22 1 6 0 0 0 M END > NP0065098 > NP-MRD > C\C(CC[C@H](O)C(=C)CC[C@@H]1C(=C)CCCC1(C)C)=C/CO > InChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h12,18-19,21-22H,2-3,6-11,13-14H2,1,4-5H3/b15-12+/t18-,19+/m1/s1 > RCJPBQXKRJHRGW-WIGMZFAJSA-N > C20H34O2 > 306.49 > 306.255880335 > 2 > 56 > 37.48130125937634 > 1 > 2 > 0 > 1 > (2E,6S)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol > 4.31 > 4.346650584666666 > -4.35 > 0 > 1 > 0 > 18.359652575467575 > 16.330029989414072 > -1.3292879634904828 > 40.46 > 95.3273 > 8 > 1 > 1.38e-02 g/l > (2E,6S)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methyl-7-methylidenenon-2-ene-1,6-diol > 0 > NP0065098 > Trixagodiol B $$$$