HMDB0299888 RDKit 3D DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/i-19:0/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 -16.2709 -1.8519 1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5681 -1.2494 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8842 0.0580 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9666 0.3119 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5162 -0.6303 -1.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9942 -1.8051 -1.3364 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5742 0.0407 -2.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3327 0.5496 -2.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9588 0.4253 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6983 0.9694 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2592 0.8940 0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0158 0.2493 1.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6496 -0.9093 2.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6502 -1.6860 2.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4942 -1.7722 1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1295 -0.9975 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0614 -0.2205 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0739 -0.0106 1.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 -0.4452 1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3252 0.3768 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9504 0.0839 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6653 0.6875 -1.6858 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.7608 -0.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8169 -1.0862 -0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2138 -0.0708 -0.1152 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0467 1.2940 -0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 2.1740 -0.2396 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 -0.5469 -0.6222 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5331 -0.7098 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4254 -0.4533 1.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8534 -1.1943 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6189 0.0251 -0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8338 0.9660 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5366 2.2427 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7574 3.1278 1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5628 2.6959 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 2.4170 2.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4628 1.3417 1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9974 1.2658 1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5466 0.1669 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1936 0.3627 -1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7206 -0.6569 -1.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1390 -0.8381 -2.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1268 -1.1548 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4759 -1.3481 -1.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5638 -1.6647 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2691 -2.9250 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8060 -0.5506 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0032 -2.6356 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2273 -2.1723 1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3817 -0.9854 2.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2033 -1.9693 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6838 -1.1424 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1503 0.8082 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5032 1.3071 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4199 -0.9228 -2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1454 -1.9705 -1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1173 0.8780 -3.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2980 -0.6512 -3.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6318 1.0792 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6558 -0.1161 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0725 1.4785 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2982 1.4173 0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1321 0.1632 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1742 1.1109 2.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4521 -1.1656 3.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6893 -2.5409 3.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5609 -1.9047 2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4886 -2.8887 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7182 -1.0480 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8991 0.3405 -0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0048 1.0953 1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2641 -0.5375 2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8073 -1.5014 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 -0.3510 1.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0019 0.0624 -0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4261 1.4457 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5562 -2.0678 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 -1.3705 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3836 0.0594 0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1474 1.3331 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 1.7701 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 2.7970 -0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6499 -1.8610 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 -1.6835 0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0724 0.4611 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5927 -0.3848 -1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8784 1.2508 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4430 0.4254 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3365 2.0349 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 2.7795 -0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 3.4300 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1762 4.1262 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4194 3.5031 3.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 1.8181 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4105 2.1868 3.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5507 3.3896 1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9860 0.3935 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2204 1.5967 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4220 2.2471 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2344 0.9646 2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6105 0.0959 0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9983 -0.7643 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0501 0.3237 -1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4020 1.4101 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2763 -1.6922 -1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2018 -0.4975 -3.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2097 -1.7020 -3.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5706 0.0093 -2.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9401 -2.0467 -0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4094 -0.3203 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2922 -2.2222 -2.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6554 -0.4271 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4840 -1.8736 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9588 -3.6962 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2298 -3.2602 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5065 -2.7394 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1492 -0.6862 0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6766 0.4516 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8642 -0.5977 0.2708 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 5 7 1 0 7 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 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 26 27 1 0 25 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 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 27 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END