HMDB0296996 RDKit 3D DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0/0:0) 71 70 0 0 0 0 0 0 0 0999 V2000 -11.4022 0.6944 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2601 0.1200 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9549 0.4306 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0727 -0.4506 -0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3138 -1.8958 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2647 -2.5648 0.1456 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5683 -3.9275 0.1657 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9424 -2.3086 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0732 -1.5123 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 -1.2328 -0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 -0.4081 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6101 -0.1332 -0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 0.6591 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 1.3262 1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 2.1262 1.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2319 2.4552 1.3134 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1724 2.6900 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3022 1.4875 1.7451 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1910 0.2238 1.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6987 2.0189 1.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 2.4230 0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 1.3636 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0146 0.2440 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 -0.7482 -1.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8274 0.1297 0.6848 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 -0.9732 0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6653 -1.2979 -0.1139 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3014 -2.6183 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9725 -2.4610 1.5555 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6103 -0.3009 -0.3016 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8561 0.2103 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8650 1.2843 -1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1858 -0.2716 -2.5083 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3374 0.4858 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4123 0.2420 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3137 1.7795 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5184 -0.9354 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3666 0.6179 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6676 1.4886 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0897 -0.1531 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1049 -2.3129 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2759 -2.2354 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2842 -2.1138 1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9149 -4.2495 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6939 -2.7842 -1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3243 -1.0412 0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 -1.6641 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 0.0057 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 -0.6106 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2637 0.7881 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 1.1581 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 2.5597 2.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 3.4838 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 3.6284 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1248 1.3457 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 -0.3507 1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7795 2.9185 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3758 1.2692 2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 3.3300 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 2.7583 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 1.8325 -1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 1.0402 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1594 -0.8209 1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 -1.9085 1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2111 -1.5582 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4544 -3.3287 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8993 -3.0735 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5658 -2.9666 2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5011 2.2757 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7487 1.0259 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1395 1.2918 -2.8815 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 31 33 2 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 1 7 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 13 50 1 0 14 51 1 0 15 52 1 0 16 53 1 1 17 54 1 0 18 55 1 1 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 22 61 1 0 22 62 1 0 26 63 1 0 26 64 1 0 27 65 1 6 28 66 1 0 28 67 1 0 29 68 1 0 32 69 1 0 32 70 1 0 32 71 1 0 M END