HMDB0298239 RDKit 3D DG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/a-25:0/0:0) 143142 0 0 0 0 0 0 0 0999 V2000 5.4857 -4.2679 -1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 -4.2383 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 -3.6492 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5485 -2.5583 0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 -1.7339 1.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6076 -0.3598 1.0758 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1605 -0.4711 -0.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8153 0.6370 1.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 0.3800 2.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 1.4488 3.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6427 1.2702 4.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5514 -0.0625 5.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1183 0.1199 6.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 -0.0754 7.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0512 -0.4983 7.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4353 -0.6795 8.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 -1.1070 8.8730 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6056 -0.2250 8.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 -2.5263 8.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1075 -3.2021 8.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 -2.5700 8.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 -2.9414 6.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2846 -2.6156 5.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 -1.2491 5.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7349 -0.9434 5.1444 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 -0.1604 5.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 1.1263 5.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 2.1496 4.9794 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0906 2.4839 6.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9519 3.5866 6.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 1.8006 3.9849 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5242 2.4976 2.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6945 3.4491 2.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 2.2431 1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9707 2.9995 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6304 2.5091 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1338 3.2714 -1.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 4.7291 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 5.5913 -1.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0405 5.8244 -3.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3556 4.6975 -4.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8246 5.2644 -5.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 4.2118 -6.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0892 3.1865 -6.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6418 2.2775 -7.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9113 1.0974 -8.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 1.1545 -8.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 1.6017 -7.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3203 0.7569 -6.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -0.6588 -7.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 -1.5932 -5.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3606 -3.0019 -6.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -3.9386 -5.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4178 -3.5943 -4.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8136 -3.5927 -4.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 -4.6164 -2.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -4.7690 -2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 -5.2679 -1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4178 -4.0428 -1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 -3.5375 -1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 -5.3173 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1595 -3.7715 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0350 -4.1787 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6109 -2.2279 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9892 -1.6349 2.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5746 -2.0856 1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6915 -0.0268 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 -1.3759 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7702 1.6684 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 -0.6425 3.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3595 2.4729 3.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 2.1305 5.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5004 -0.4137 5.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 -0.8607 4.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1643 0.4379 6.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 0.0804 8.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5023 -0.6677 6.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 -0.5248 9.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 -0.8658 9.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4528 0.6786 8.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 -3.1508 8.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0654 -4.3100 8.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 -2.9835 9.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -1.4753 8.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 -4.0533 6.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0612 -2.4644 6.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8283 -3.0381 4.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 -3.2158 5.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9225 1.0706 4.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 1.5205 5.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 3.0756 4.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5934 1.6707 6.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2533 2.8529 6.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 3.6081 5.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 1.1786 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4264 2.6997 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6992 2.7548 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0281 4.0603 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 1.4199 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8256 2.5875 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1286 2.8101 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7884 2.9685 -2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3295 4.7976 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9584 5.1739 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 5.3431 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 6.6403 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 6.4620 -3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4236 6.5573 -3.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2452 4.1526 -3.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5679 3.9932 -4.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0571 5.9756 -5.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7022 5.8923 -5.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0837 3.6610 -6.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 4.6592 -7.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 2.7299 -5.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2665 3.8652 -7.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6601 1.9457 -7.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 2.9557 -8.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9604 0.2454 -7.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5635 0.6221 -9.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 1.8190 -9.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 0.1570 -9.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 1.4460 -8.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4582 2.6609 -7.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 0.8984 -5.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 1.1455 -6.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 -1.0800 -7.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 -0.7241 -7.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 -1.2652 -5.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 -1.5737 -5.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 -3.0610 -6.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 -3.3461 -7.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6293 -4.0065 -4.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 -4.9609 -5.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 -2.5899 -3.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 -4.1570 -4.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 -4.1108 -5.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 -2.5535 -4.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2172 -4.3177 -2.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7587 -5.6164 -3.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -5.5445 -1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -5.2364 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1878 -3.8766 -1.6951 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 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 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 6 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 1 18 80 1 0 19 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 0 27 90 1 0 28 91 1 6 29 92 1 0 29 93 1 0 30 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 55136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 M END