HMDB0300221 RDKit 3D DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0/i-21:0) 128127 0 0 0 0 0 0 0 0999 V2000 17.6040 -1.4640 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4167 -1.9794 -1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2650 -2.1564 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0873 -2.6772 -1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5768 -1.8077 -2.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9238 -0.5562 -2.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4547 0.1451 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5184 -0.3104 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0821 0.3775 1.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4817 1.6922 1.1847 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0984 2.5375 0.2788 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9636 1.6967 1.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4156 0.9756 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6177 -0.0475 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1794 -0.5954 1.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6771 -0.4673 1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 -1.4803 1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3945 -1.2443 1.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7701 -1.9796 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3949 -1.4211 -0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0665 0.0349 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 0.8867 -1.3277 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 0.4240 -0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 1.7900 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0387 1.8530 0.1501 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1830 1.1790 -0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1096 1.2252 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 1.2381 2.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 0.6282 1.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 -0.0607 0.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 0.8036 2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1016 2.0785 2.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 2.2102 1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6839 1.1127 0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 1.3826 -0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2244 0.4085 -1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4404 0.3950 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0447 1.7473 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5655 2.4425 -1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7011 2.1375 -2.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9908 0.9648 -2.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1646 -0.3707 -2.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2034 -0.6547 -1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1131 -0.0298 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2092 -0.3460 1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5815 0.0322 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4439 -0.4022 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8024 -1.8228 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7603 -2.8331 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6647 -2.3311 0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2785 -0.6468 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9566 -2.3234 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3889 -1.1144 -1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5946 -2.9455 -1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1159 -1.2330 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1248 -1.1939 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6081 -2.9229 0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5549 -3.6059 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3458 -3.1545 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8193 -2.4976 -2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4013 -1.7310 -3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7780 -0.0472 -3.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9968 1.1128 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8994 -1.2871 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1717 -0.0608 2.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6617 2.2435 2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9714 2.8184 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7268 2.8038 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4954 1.5208 2.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6598 1.2870 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2407 -0.5437 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5406 -0.1393 2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 -1.7219 1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 0.5348 1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2355 -2.4726 1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9331 -1.5527 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2043 -0.1629 1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 -1.7711 0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9955 -3.0441 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 -1.8704 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -1.6148 -0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 2.2735 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 2.2644 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7749 2.9386 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 1.0652 -1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 1.7596 2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 0.1584 1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0527 0.8344 3.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0386 -0.0973 2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 2.9102 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9554 2.2125 3.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8896 2.2773 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2171 3.1890 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4303 1.1916 1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1281 0.1513 0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5001 2.4361 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3109 1.2649 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5956 0.7476 -2.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -0.6101 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0432 -0.4535 -0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0026 0.1155 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7804 1.7387 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2113 2.3995 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6620 2.6099 -1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6764 3.5783 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6820 3.0705 -2.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6828 2.5273 -1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0935 0.8667 -3.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8062 1.1971 -3.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5715 -1.0278 -3.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2309 -0.9379 -2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1160 -1.7874 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2303 -0.5960 -1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9678 1.0706 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1383 -0.3990 0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9140 0.2044 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0457 -1.4089 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6002 1.1880 0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1495 -0.1892 1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4887 0.0873 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3046 0.0844 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5203 -1.8624 -1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3213 -3.8243 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2075 -2.7333 -1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1340 -3.0535 0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6418 -1.8007 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8492 -3.4076 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1585 -2.2487 1.6691 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 2 0 9 10 1 0 10 11 1 0 10 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 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 48 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 1 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 24 82 1 0 24 83 1 0 25 84 1 1 26 85 1 0 27 86 1 0 27 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END