HMDB0297889 RDKit 3D DG(20:3(5Z,8Z,11Z)-O(14R,15S)/0:0/a-21:0) 128128 0 0 0 0 0 0 0 0999 V2000 -18.2548 -0.6330 2.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2418 0.1128 3.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0584 0.6427 2.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1096 -0.3152 1.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7271 -1.1765 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6239 -2.0670 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9997 -2.9082 1.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2242 -1.7863 0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1451 -2.2926 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8006 -1.9197 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9084 -1.1864 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0783 -0.6023 -1.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0527 0.8086 -2.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9298 1.7933 -1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7880 1.7018 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6005 2.1509 0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4714 2.6299 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0827 2.8471 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7929 2.0261 -1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7009 2.5069 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 1.7895 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 2.1786 -1.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0956 0.7286 0.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 -0.1097 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 -0.9177 -0.9620 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2121 -0.1984 -2.0472 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 -2.0282 -0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6023 -1.6959 -0.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -1.1788 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -0.9468 -2.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9669 -0.8682 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 -1.1493 0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 -0.8208 1.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4327 -1.6190 0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 -1.2435 1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0142 0.2005 1.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1871 0.6135 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3096 -0.1018 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6570 0.1483 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9706 1.6123 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2021 2.2883 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4268 2.1951 -1.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1239 0.9596 -2.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9121 0.2915 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5070 -0.9685 -1.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2597 -1.7882 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4198 -1.1979 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5122 -0.6599 -0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1093 -0.3904 1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3850 -1.2438 2.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2366 -0.3890 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3301 -1.6969 2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2875 -0.2286 2.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9512 -0.5551 3.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7101 0.9960 3.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4440 1.3077 1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4300 1.3016 3.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5495 -0.9217 2.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2941 0.3004 1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4787 -1.8864 1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2025 -0.6632 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8445 -2.5559 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9198 -1.1535 1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1646 -3.4248 -0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3764 -2.0568 -1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4822 -2.2874 0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9350 -1.0219 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3059 -1.0942 -2.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0292 -1.0460 -2.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1551 1.1144 -3.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9733 2.8485 -1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6125 2.4663 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2031 0.7827 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7013 2.0545 1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7608 2.9076 1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8233 3.9252 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7619 2.5066 -1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5469 2.0789 -2.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0555 0.9813 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 3.6068 -0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 2.4334 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1981 -0.8750 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0756 0.4031 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -1.4446 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6297 0.5501 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1154 -2.6157 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 -2.7067 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6872 -1.5507 -0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 0.2004 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2181 -0.5246 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7143 -2.2124 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3391 -0.9560 2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 0.2707 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 -2.6914 1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5317 -1.4082 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6111 -1.4170 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5802 -1.8406 1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9689 0.4324 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 0.8779 1.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 0.4291 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3696 1.6961 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1791 -1.2056 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3653 0.1924 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6194 -0.2333 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3644 -0.3865 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8833 1.7006 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 2.1739 0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3601 1.9109 -1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 3.3999 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2054 2.8522 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3532 2.8153 -2.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8257 1.0580 -3.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3751 0.1926 -2.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4375 0.2539 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8276 1.0299 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6688 -1.6222 -2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1050 -0.6966 -2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5380 -2.7705 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5339 -2.1154 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -2.1396 0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3108 -0.2788 -0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8858 -1.4852 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1697 0.2026 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4688 0.4738 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0616 0.0186 1.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5431 -0.7757 3.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8890 -2.2320 2.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3264 -1.3326 1.9215 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 1 0 7 8 1 0 8 9 1 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 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 47 49 1 0 49 50 1 0 8 6 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 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 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 6 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 48121 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