HMDB0296277 RDKit 3D DG(20:0/0:0/20:4(5Z,7E,11Z,14Z)-OH(9)) 125124 0 0 0 0 0 0 0 0999 V2000 -17.1724 1.3444 1.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8872 1.8178 2.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6401 1.1540 2.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4321 1.3726 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3737 0.8744 -0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6318 -0.4899 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0819 -1.6133 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9080 -1.8502 0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9273 -2.5648 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7354 -2.1622 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1169 -0.9549 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7707 0.0547 -1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1547 1.1864 -0.8498 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1245 -0.4689 -2.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8597 -0.6800 -2.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9031 -0.4150 -1.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6259 -0.6454 -1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 -0.3873 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6331 0.5801 -1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4831 0.8647 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6825 -0.3624 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0395 -1.4804 -0.5485 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -0.2537 0.5985 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6786 -1.4126 0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2309 -1.9552 -0.4514 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5425 -3.0987 -0.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 -0.8876 -1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8034 -0.7487 -0.3684 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7933 0.1614 -0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.8557 -1.7376 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0387 0.2597 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9492 1.2602 1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1084 1.4982 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6327 0.4274 2.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1782 -0.8098 2.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3634 -0.5902 1.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7696 -1.8953 0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9395 -2.0336 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9550 -1.2371 -1.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1720 0.1948 -1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4691 0.8625 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4363 0.4651 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2343 -0.7990 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1059 -0.5591 -1.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2091 0.4004 -1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4140 0.1093 -0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4330 -0.1724 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9014 0.9381 1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6796 2.2320 1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7262 2.0882 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8789 1.2443 2.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1171 0.3509 1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8402 1.7433 3.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8458 2.9359 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6929 0.0951 2.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7356 1.5546 2.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4648 2.5368 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3391 1.2093 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3663 1.4722 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9868 1.3418 -1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5342 -0.6254 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5508 -2.5547 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2278 -2.5844 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4498 -1.0248 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3110 -3.4890 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1328 -2.7851 -1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1046 -1.1976 0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6585 -0.4624 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8206 0.4752 -1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8230 1.6809 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7519 -0.7144 -3.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4405 -1.0879 -3.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2435 -0.0258 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2978 -1.0507 -2.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1604 0.1980 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2167 -1.2945 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 0.1943 -2.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 1.5317 -1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 1.3584 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8305 1.6467 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 -1.0311 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -2.1215 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -2.2506 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 -2.8638 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 -1.2141 -2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 0.0314 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8733 0.5206 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1991 -0.7451 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 2.2380 0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0147 1.0355 1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7998 2.3428 2.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9499 2.0199 1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4198 0.8490 3.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 0.1148 3.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -1.5780 1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6898 -1.3380 3.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 -0.0357 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8603 0.0085 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 -2.3184 0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8977 -2.6106 1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9463 -3.1411 -0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8946 -1.9714 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6744 -1.7066 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9274 -1.4754 -1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4908 0.6993 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7063 0.6101 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2350 1.9900 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 0.9300 -2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 1.2981 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9469 0.2524 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6037 -1.6314 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 -1.0245 0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4746 -0.3823 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5686 -1.5781 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5519 0.5851 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8442 1.4484 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9193 -0.7835 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1948 0.9583 -0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0099 -1.1600 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5516 -0.3040 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8384 1.0799 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1368 0.6360 2.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2801 2.7425 0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7241 1.9782 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5207 2.9126 2.1045 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 0 24 82 1 0 25 83 1 6 26 84 1 0 27 85 1 0 27 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 M END