HMDB0112865 RDKit 3D PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) 134133 0 0 0 0 0 0 0 0999 V2000 17.0793 1.8698 0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6060 1.6606 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9596 2.8988 1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9629 3.4547 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2439 3.0618 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5746 1.9165 -1.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9005 0.8504 -1.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5843 0.4542 -1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8438 1.2737 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6915 1.8106 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9278 1.6362 -1.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7431 2.9964 -2.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6239 3.6012 -2.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 3.1211 -2.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 1.7961 -1.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 1.5081 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1044 2.4831 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7627 2.6761 0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6793 2.0983 0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5263 1.1250 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -0.2424 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7935 -0.1463 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9423 -0.0897 1.8726 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4741 -0.1132 0.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5687 -0.0411 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 -1.3425 1.8088 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8363 -2.5081 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 -2.4044 0.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 -3.5948 -0.9750 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.8241 -3.6295 -1.2065 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5866 -3.1658 -2.4571 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8424 -5.1317 -0.5418 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 -5.4458 -0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1576 -6.8482 -0.5273 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2342 -7.0833 0.8925 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2309 -7.0939 -0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -6.8981 -2.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 -7.5357 -0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 -1.2896 2.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 -1.4151 4.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 -1.5830 4.3724 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 -1.3858 5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7217 -1.1561 4.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2684 -2.2244 3.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7219 -1.9798 3.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0375 -0.6992 3.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4211 -0.4707 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8455 -1.5409 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3274 -1.6038 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9732 -0.3252 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5046 0.1228 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3145 0.2525 -2.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7603 -0.0254 -2.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5382 1.2515 -2.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2076 2.3161 -1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9207 3.6146 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4343 3.4454 -1.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0728 4.8024 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6336 2.2453 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5599 0.9093 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2165 2.5542 -0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7011 1.0523 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0840 0.9667 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3460 3.4281 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5795 4.4196 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3956 4.0238 -1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1405 3.1728 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5826 1.9709 -2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3986 0.1004 -2.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9600 0.0500 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7690 -0.5725 -0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2801 1.4716 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 2.4343 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0410 1.0577 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5165 1.0307 -2.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7072 3.5221 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6860 4.6854 -2.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6703 3.2407 -3.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7465 3.9395 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0662 0.9011 -2.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 0.4173 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5899 3.4816 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7844 2.1917 1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 3.4432 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7363 2.4036 0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 1.0388 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5697 1.4892 -1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -0.7521 0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -0.8667 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 0.1677 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 0.7720 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6986 -1.4907 2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7076 -3.4448 1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -2.4116 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8164 -3.8263 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8481 -4.7529 -0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4492 -5.3526 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7843 -7.6082 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -7.9016 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3002 -7.2633 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -8.4222 -0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 -0.5535 5.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 -2.3671 5.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3054 -1.0704 5.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8169 -0.1453 4.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6586 -2.4058 3.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2389 -3.1861 4.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1195 -2.8751 3.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2352 -1.9649 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1513 -0.6418 2.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7881 0.1266 3.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3093 -0.6025 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5799 0.5539 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3634 -1.3342 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4855 -2.5028 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5341 -2.3566 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8324 -2.0183 1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0619 -0.3686 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6584 0.5152 0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4461 0.3662 -1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9081 0.5885 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9667 -0.7327 -3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1387 -0.5512 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6293 1.0323 -2.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2031 1.5643 -3.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4931 1.9235 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1149 2.5181 -1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6003 4.3377 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6781 4.0257 -2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7983 2.6931 -2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7061 3.0541 -0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3774 5.4453 -2.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2707 5.2290 -0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0566 4.7030 -2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 36 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 6 35 99 1 0 35100 1 0 38101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 M END