HMDB0295237 RDKit 3D DG(15:0/0:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 110109 0 0 0 0 0 0 0 0999 V2000 17.7339 0.1111 1.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0876 -0.5795 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0779 -1.6157 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9595 -1.0435 1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1529 -0.0010 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5145 -0.5287 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2309 -0.5444 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2305 -0.0137 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2797 -1.0878 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0117 -1.0001 0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3536 0.1175 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6548 -0.4048 -1.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6815 -1.3337 -1.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3102 0.6486 -2.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 1.3961 -2.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2525 1.2111 -1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 1.9729 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 1.8615 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5085 0.7561 0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4798 0.6352 1.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 0.3323 1.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.8677 1.2504 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 1.3088 0.7799 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 1.1409 0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.6543 1.1422 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7360 -0.5529 1.7278 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 0.6274 0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 0.4257 1.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7433 -0.6183 1.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0121 -1.6087 2.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 -0.5424 2.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1217 -1.3012 1.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3104 -0.7124 0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4327 -1.4779 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5708 -0.8566 -1.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6405 -1.4616 -2.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0002 -1.2993 -1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0776 -1.8603 -2.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4493 -1.8150 -1.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1316 -0.5445 -1.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6067 0.4701 -0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6351 1.6529 -0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0189 2.6451 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9246 3.8257 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0985 1.1015 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1097 0.1536 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6728 -0.4382 1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8927 -1.1324 -0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6654 0.1402 -0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6045 -2.3641 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7025 -2.1563 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2577 -1.8989 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2508 -0.6570 2.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5522 0.5331 1.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9637 0.7786 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1476 -0.9613 -1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8339 -0.9775 -1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7936 0.9301 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7808 0.2013 1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6463 -1.9745 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3319 -1.8327 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5657 0.5970 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0319 0.9274 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -1.0064 -1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0486 -2.2413 -1.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9632 0.8929 -3.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0251 2.1726 -3.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 0.4731 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 2.7292 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 1.7140 -0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1947 2.8079 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5036 0.9509 1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 -0.2268 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 1.5387 2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8097 -0.2567 2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 0.4363 -0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 2.1217 -0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 1.4254 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 -0.4148 2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 1.6032 -0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 -0.1809 -0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -1.0270 3.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2736 0.5026 2.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0675 -1.1374 2.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8993 -2.3684 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4115 -0.7923 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5857 0.3534 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3651 -1.3971 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1601 -2.5364 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7058 0.2431 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5941 -1.0411 -2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6996 -0.9156 -3.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4050 -2.5262 -2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8970 -1.9307 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1182 -0.2716 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8051 -2.9163 -2.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0593 -1.3238 -3.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0953 -2.4678 -2.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5024 -2.4592 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2275 -0.7545 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2961 -0.0122 -2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7009 1.0251 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4855 0.1519 0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5622 1.2268 -0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6614 2.0450 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8475 2.1390 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0297 2.9987 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5639 3.6831 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5013 3.9435 -0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2889 4.7337 0.4807 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 12 14 1 0 14 15 2 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 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 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 1 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END