6850743 -OEChem-05082410582D 140138 0 1 0 0 0 0 0999 V2000 10.5922 0.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 13.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 6.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 5.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0074 10.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3876 1.5648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9098 3.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6464 2.5307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0149 0.9728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7865 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6728 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0453 2.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1287 0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0143 4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9962 3.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0079 14.6441 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8739 15.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 14.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0079 13.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1419 15.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6060 15.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4720 14.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2758 14.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3380 15.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4720 13.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 12.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 11.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 11.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 12.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6055 9.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4715 8.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 11.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 10.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 12.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7394 8.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3375 9.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2035 8.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 13.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 12.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 10.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7394 7.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8734 9.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0696 9.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2035 7.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 4.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 3.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 5.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8734 10.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 5.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 3.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 5.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 4.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 2.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 7.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 2.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 5.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8664 3.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4468 0.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5916 0.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3805 0.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4785 2.5012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0871 1.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6393 1.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2402 2.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5299 0.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9683 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7276 0.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6309 4.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0791 5.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3977 4.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2484 4.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4298 4.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7440 3.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9746 0.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4710 14.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2725 15.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4754 15.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3414 14.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1385 14.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3879 13.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0079 13.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 13.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1419 15.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6060 15.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7389 14.9541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2758 14.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6480 14.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8750 15.4541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0280 15.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8520 13.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4720 13.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 13.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 12.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 12.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 11.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 11.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 12.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0040 9.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2069 9.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0730 8.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8700 8.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 10.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 10.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 11.7204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3375 10.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 12.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 13.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 11.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 12.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7522 12.5673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 10.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 9.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8162 10.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1194 7.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7394 7.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3594 7.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3365 9.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3796 8.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6065 9.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7596 9.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5835 7.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2035 7.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8235 7.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6422 3.6260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2437 4.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7025 5.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4103 10.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 3.1137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 3.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4947 2.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4756 6.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7025 7.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8556 7.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 1.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4346 2.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 5.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1645 4.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 4.6967 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 87 1 0 0 0 0 24 88 1 0 0 0 0 24 89 1 0 0 0 0 25 90 1 0 0 0 0 25 91 1 0 0 0 0 25 92 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 39109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 40112 1 0 0 0 0 40113 1 0 0 0 0 40114 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)-1,7,7-trimethyl-2-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)-1,7,7-trimethylbicyclo[2.2.1]heptan-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-dimethylocta-2,6-dien-1-ol;(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-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)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-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 > 776.63187578 > C51H84O5 > 777.2 > 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 > 776.63187578 > 0 > 56 > 2 > 2 > 2 > 0 > 0 > 5 > -1 > 1 5 255 > 9 1 3 16 19 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 $$$$