6850743 -OEChem-06181301462D 140138 0 1 0 0 0 0 0999 V2000 10.1154 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3570 11.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 10.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1063 2.1264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6285 4.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3651 3.0923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3742 1.1264 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9382 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8742 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1970 2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8475 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7330 5.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7149 4.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7584 15.9848 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6244 16.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4904 15.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7584 14.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8924 16.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3565 16.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2225 15.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0263 15.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0885 16.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2225 14.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7589 10.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8929 9.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6249 9.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 10.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 11.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 12.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1608 9.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6249 8.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4910 10.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 10.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 13.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 13.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4910 11.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2948 10.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1608 8.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 10.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 10.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 14.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 13.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 10.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5851 3.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5315 1.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7262 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5295 1.1811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6036 2.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3265 1.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7883 2.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4091 2.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2486 1.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6870 0.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4463 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3496 5.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7978 5.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1164 5.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9671 5.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1485 4.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4628 3.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5165 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0223 15.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0229 16.9597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2259 16.9597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0919 15.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8890 15.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1384 14.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7584 14.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3784 14.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8924 17.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3565 17.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4894 16.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0263 15.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6025 14.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2225 14.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8425 14.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3985 15.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6254 16.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7785 17.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1574 10.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3604 10.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4943 9.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2914 9.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 10.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 12.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 11.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 11.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 12.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0049 8.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6249 7.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2449 8.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0279 9.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 13.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2789 11.6080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8804 10.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 8.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1608 7.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7808 8.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6048 10.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7579 10.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9848 9.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4226 9.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 10.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0426 11.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 9.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 14.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 15.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 14.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1546 12.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 13.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7746 14.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 3.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 4.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3570 12.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 11.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 6.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 7.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 7.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 74 1 0 0 0 0 2 38 1 0 0 0 0 2127 1 0 0 0 0 3 49 1 0 0 0 0 3 54 1 0 0 0 0 4 51 1 0 0 0 0 4 56 1 0 0 0 0 5 48 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 57 1 6 0 0 0 9 11 1 0 0 0 0 9 58 1 0 0 0 0 10 12 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 61 1 0 0 0 0 11 62 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 13 67 1 0 0 0 0 14 68 1 0 0 0 0 14 69 1 0 0 0 0 14 70 1 0 0 0 0 15 71 1 0 0 0 0 15 72 1 0 0 0 0 15 73 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 75 1 0 0 0 0 17 18 1 0 0 0 0 17 76 1 0 0 0 0 17 77 1 0 0 0 0 18 21 1 0 0 0 0 18 78 1 0 0 0 0 18 79 1 0 0 0 0 19 80 1 0 0 0 0 19 81 1 0 0 0 0 19 82 1 0 0 0 0 20 23 2 0 0 0 0 20 83 1 0 0 0 0 21 22 2 0 0 0 0 21 84 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 85 1 0 0 0 0 23 86 1 0 0 0 0 24 90 1 0 0 0 0 24 91 1 0 0 0 0 24 92 1 0 0 0 0 25 87 1 0 0 0 0 25 88 1 0 0 0 0 25 89 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 93 1 0 0 0 0 26 94 1 0 0 0 0 27 29 1 0 0 0 0 27 95 1 0 0 0 0 27 96 1 0 0 0 0 28 33 1 0 0 0 0 28 34 2 0 0 0 0 29 32 2 0 0 0 0 29 97 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 30 98 1 0 0 0 0 30 99 1 0 0 0 0 31 36 1 0 0 0 0 31100 1 0 0 0 0 31101 1 0 0 0 0 32 39 1 0 0 0 0 32 40 1 0 0 0 0 33102 1 0 0 0 0 33103 1 0 0 0 0 33104 1 0 0 0 0 34 38 1 0 0 0 0 34105 1 0 0 0 0 35 41 1 0 0 0 0 35 42 2 0 0 0 0 36 37 2 0 0 0 0 36106 1 0 0 0 0 37 43 1 0 0 0 0 37 44 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39112 1 0 0 0 0 39113 1 0 0 0 0 39114 1 0 0 0 0 40109 1 0 0 0 0 40110 1 0 0 0 0 40111 1 0 0 0 0 41115 1 0 0 0 0 41116 1 0 0 0 0 41117 1 0 0 0 0 42 48 1 0 0 0 0 42118 1 0 0 0 0 43119 1 0 0 0 0 43120 1 0 0 0 0 43121 1 0 0 0 0 44122 1 0 0 0 0 44123 1 0 0 0 0 44124 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 45 50 1 0 0 0 0 46 53 1 0 0 0 0 46125 1 0 0 0 0 46126 1 0 0 0 0 47 49 1 0 0 0 0 47128 1 0 0 0 0 48129 1 0 0 0 0 49 51 2 0 0 0 0 50 52 2 0 0 0 0 50130 1 0 0 0 0 51 52 1 0 0 0 0 52131 1 0 0 0 0 53 55 2 0 0 0 0 53132 1 0 0 0 0 54133 1 0 0 0 0 54134 1 0 0 0 0 54135 1 0 0 0 0 55136 1 0 0 0 0 55137 1 0 0 0 0 56138 1 0 0 0 0 56139 1 0 0 0 0 56140 1 0 0 0 0 M END > 6850743 > 1 > 779 > 5 > 2 > 16 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAYMAAAAwYAAAAAAAAAABAAAAGgAACAAADxSgmAIyBoAABgCIAihSgAACCAAgIAAIiAAGiMgNNiKEMRqAcCIkwBEKuQeAwPAPoAABAAAAQADAAAIAABCAAYAADAAAAA== > 4-allyl-1,2-dimethoxy-benzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-1,7,7-trimethylnorbornan-2-ol > 1,2-dimethoxy-4-prop-2-enylbenzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethyl-1-octa-2,6-dienol;(1S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanol > 1,2-dimethoxy-4-prop-2-enylbenzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol > 1,2-dimethoxy-4-prop-2-enyl-benzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol > 4-allyl-1,2-dimethoxy-benzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-1,7,7-trimethylnorbornan-2-ol > InChI=1S/C11H14O2.2C10H18O.C10H16O.C10H18/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-9(2)7-4-5-10(9,3)8(11)6-7;2*1-9(2)5-4-6-10(3)7-8-11;1-5-10(4)8-6-7-9(2)3/h4,6-8H,1,5H2,2-3H3;7-8,11H,4-6H2,1-3H3;5,7,11H,4,6,8H2,1-3H3;5,7-8H,4,6H2,1-3H3;5,7,10H,1,6,8H2,2-4H3/b;;2*10-7-;/t;7-,8?,10+;;;/m.0.../s1 > PGGUYIATKYHYBE-TXQHLEIUSA-N > 776.631876 > C51H84O5 > 777.20966 > CC(CCC=C(C)C)C=C.CC(=CCCC(=CCO)C)C.CC(=CCCC(=CC=O)C)C.CC1(C2CCC1(C(C2)O)C)C.COC1=C(C=C(C=C1)CC=C)OC > CC(CCC=C(C)C)C=C.CC(=CCC/C(=C\CO)/C)C.CC(=CCC/C(=C\C=O)/C)C.C[C@]12CC[C@H](C1(C)C)CC2O.COC1=C(C=C(C=C1)CC=C)OC > 76 > 776.631876 > 0 > 56 > 2 > 2 > 2 > 0 > 0 > 5 > 1 > 1 5 255 > 16 75 3 45 47 8 45 50 8 47 49 8 49 51 8 50 52 8 51 52 8 6 13 5 8 57 6 9 58 3 $$$$