HMDB0294426 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/10:0/0:0) 95 94 0 0 0 0 0 0 0 0999 V2000 10.5642 -1.0472 -3.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3721 0.4219 -2.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9953 0.8992 -1.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7058 0.3741 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4289 0.3861 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2255 -0.3312 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 -0.1539 -1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 1.2286 -1.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0618 1.6913 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 0.8671 -0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 1.1427 -1.0274 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 -0.2652 0.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6492 -1.0426 0.4970 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9279 -2.3827 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -2.1037 -1.5285 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2157 -1.2838 1.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -0.1196 2.6224 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 0.7258 2.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 0.4509 1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 1.9654 3.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1757 2.4202 2.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7945 1.4963 3.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8229 0.1039 3.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 -0.4219 2.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 0.2875 2.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4409 0.2114 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 -0.3679 0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5316 -1.0112 1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -2.4356 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6506 -2.9520 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9116 -2.2527 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3424 -2.2400 -1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5328 -1.1433 -2.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3689 0.1965 -1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6490 1.0258 -1.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7483 0.4001 -0.7933 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.3279 0.3019 0.5474 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9367 1.3409 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3759 1.5419 -2.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6475 -1.2912 -3.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3089 -1.2193 -4.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9264 -1.7015 -2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3614 0.7281 -3.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9814 0.9395 -3.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 2.0452 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1393 0.7918 -1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 0.9341 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1622 -0.6847 -0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6754 0.0208 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1810 1.4895 0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4718 -0.2693 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 -1.4588 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8484 -0.6367 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 -0.7451 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4178 1.1634 -2.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 1.9483 -1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7098 2.7223 -0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5624 1.8100 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 -0.5848 -0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8584 -2.7789 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 -3.0866 -0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 -2.6023 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2535 -1.8743 1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9048 -1.9538 2.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2752 2.7521 2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 1.7754 4.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 2.5407 1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 3.4612 3.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7706 2.0096 3.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5007 1.4436 4.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 -0.5702 3.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 -1.4858 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9973 -0.0858 2.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0931 1.3922 2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 0.6703 0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 -0.3926 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5111 -0.4855 1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -1.0082 2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6689 -3.0098 0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6285 -4.0150 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0958 -1.3261 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7014 -2.9646 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4801 -3.2458 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8493 -1.2573 -3.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9982 0.3165 -0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6007 0.7626 -2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4410 2.0463 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9058 1.1382 -2.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0122 -0.5952 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0853 0.4412 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6570 2.3333 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7676 0.9747 -0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9017 0.7777 -2.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0570 2.5383 -2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4954 1.4375 -2.2575 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 13 59 1 6 14 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 16 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 27 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 6 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 39 95 1 0 M END