HMDB0296316 RDKit 3D DG(20:3(8Z,11Z,14Z)-2OH(5,6)/20:0/0:0) 128127 0 0 0 0 0 0 0 0999 V2000 -15.7914 -3.2982 1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8143 -2.7098 2.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4351 -2.5531 1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4732 -1.6437 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0911 -1.4837 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2809 -0.5756 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6954 0.5777 -1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7368 1.1245 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2075 2.4455 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4898 3.5085 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2037 3.6025 -0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2003 4.1327 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1108 3.5024 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7525 2.2019 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4363 2.3053 -1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5783 3.2014 -2.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0761 0.9620 -1.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0981 0.5503 -2.4294 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6794 -0.0679 -0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4603 0.4074 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 -0.5894 1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 0.0077 1.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2408 -0.5424 2.7723 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1697 1.1338 1.2548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 1.7704 1.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1422 0.8006 1.6043 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4449 1.4470 2.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 2.5929 1.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 0.4165 0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 -0.9300 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8556 -1.7216 0.8432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 -1.3155 -1.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -1.7948 -1.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8925 -2.9400 -0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1597 -3.6300 -1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4228 -2.8405 -0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6607 -1.9247 -2.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9094 -1.1304 -2.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 -0.0820 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9771 -0.4032 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3084 0.7980 1.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6336 1.3921 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8466 0.6946 1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3476 -0.5439 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7045 -0.6349 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6592 0.2457 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0709 0.3083 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3384 0.8166 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8804 0.8714 0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4230 -0.5143 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4594 -4.0577 1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4669 -2.5213 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2844 -3.8046 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7464 -3.3871 3.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1641 -1.7240 2.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0363 -3.5436 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7752 -2.0629 2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1765 -1.9929 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7950 -0.6417 0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8288 -2.5206 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3159 -1.2727 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0032 -0.9263 -2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9380 1.1571 -2.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7188 1.1205 -0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7396 0.4608 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1802 2.4602 0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8899 4.4518 0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3564 4.4503 -1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9022 2.7657 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4326 5.1337 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4304 4.0104 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4892 1.6158 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4648 1.5622 0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6924 2.7246 -0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0387 4.0350 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 1.1876 -2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9038 0.7438 -3.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3937 -0.9817 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5397 -0.2467 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5716 1.3569 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 0.4484 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 -1.5784 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7691 -0.6795 1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0878 2.1239 2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1749 2.6378 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9568 -0.0714 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 1.7526 3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 0.6897 1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 3.3355 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 -2.1537 -1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 -0.4218 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1247 -0.8838 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -1.9927 -2.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -2.5716 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0104 -3.6751 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1822 -4.2369 -2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 -4.4365 -0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3022 -3.6214 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 -2.3860 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8155 -1.3275 -2.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8489 -2.5931 -3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8103 -1.8571 -1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1746 -0.7395 -3.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2188 0.7259 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9827 0.5160 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3945 -1.3166 0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8304 -0.4763 0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5454 1.5970 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1071 0.4579 2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7652 1.8963 0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5879 2.3398 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7183 1.4260 1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6899 0.4668 2.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2034 -0.9267 1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5992 -1.4065 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7998 -0.8663 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2104 -1.6991 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2745 1.3243 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6504 -0.0623 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5796 -0.7148 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6804 0.9615 -1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9866 0.2068 1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0381 1.8922 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2929 1.6145 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9734 1.2685 1.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6195 -0.6761 -0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3734 -0.5892 1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6451 -1.2218 1.2101 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 2 0 30 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 49 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 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 0 25 85 1 0 26 86 1 1 27 87 1 0 27 88 1 0 28 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 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END