HMDB0296855 RDKit 3D DG(2:0/20:3(5Z,11Z,14Z)-O(8,9)/0:0) 71 71 0 0 0 0 0 0 0 0999 V2000 11.2421 -0.6942 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7921 -0.3774 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1462 -1.5694 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7652 -1.4123 0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 -0.5263 1.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5286 0.8942 1.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5897 1.7931 1.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 1.7540 1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3711 0.5503 1.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5501 0.0583 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 0.7101 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 1.0328 -0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 1.6632 -1.5284 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 0.3164 -1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 -0.2047 -1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 0.9234 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2627 1.2920 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8146 0.5652 -2.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1684 0.0032 -1.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0895 1.1265 -1.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4091 0.4790 -1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2231 0.1578 -2.1491 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6829 0.2539 0.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8929 -0.3501 0.5169 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6163 -1.6708 1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9874 -2.5160 0.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5829 0.6179 1.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7765 0.0714 1.8976 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8005 -0.2732 1.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0797 -0.8647 1.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7142 -0.1110 -0.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2519 -1.5655 -1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6145 0.2268 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7801 -0.9020 0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2808 -0.1397 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7939 0.5550 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 -2.0479 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1983 -2.3742 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1224 -1.1964 -0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 -2.4756 0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8971 -0.9132 2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 -0.7682 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5939 1.3019 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0376 2.8586 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8113 2.3924 2.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7755 2.4531 0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4005 -0.0273 2.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0029 -0.8728 1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8267 1.6448 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -0.0531 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 1.2071 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5933 -0.3893 -2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -0.8881 -1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -0.8359 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 1.5074 0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8037 2.1798 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0564 1.3825 -3.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -0.1743 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5282 -0.5575 -2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0814 -0.7516 -1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 1.7936 -2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7427 1.7543 -0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4966 -0.5660 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5663 -2.1446 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9321 -1.5762 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6131 -3.2374 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9236 0.9868 2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8856 1.5490 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2022 -1.8304 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8948 -0.1546 1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9472 -1.0436 2.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 14 12 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 24 63 1 6 25 64 1 0 25 65 1 0 26 66 1 0 27 67 1 0 27 68 1 0 30 69 1 0 30 70 1 0 30 71 1 0 M END