HMDB0276730 RDKit 3D PI(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/18:2(9Z,12Z)) 143143 0 0 0 0 0 0 0 0999 V2000 0.2333 4.9088 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6616 5.2550 -0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 4.5757 -1.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4433 3.6609 -1.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 3.2109 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0046 3.4649 0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7479 2.4987 1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 1.0778 1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3785 0.2235 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1194 -0.6654 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 -1.0390 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7891 -0.9360 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9767 -0.2004 -3.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9645 0.6200 -2.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 1.3510 -3.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 1.4667 -4.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 1.2964 -5.4056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 2.9339 -5.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6143 3.1860 -6.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 3.6362 -7.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 3.9592 -6.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9358 3.2682 -7.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 1.8241 -7.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2474 1.2340 -8.1648 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5459 0.9348 -6.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 -0.4863 -6.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 -1.2826 -5.1180 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3161 -2.7462 -5.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6069 -3.1197 -5.8344 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 -4.7394 -6.2796 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6631 -4.9892 -7.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1649 -5.1700 -6.8934 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 -5.7925 -5.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7746 -5.5211 -3.8389 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7161 -6.6565 -3.4141 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6884 -6.7885 -4.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2462 -6.3434 -2.0629 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8536 -7.3754 -1.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8785 -5.0163 -1.4958 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6213 -3.9641 -2.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3933 -4.7348 -1.5490 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7883 -5.0273 -0.3414 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 -5.4283 -2.7269 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4729 -6.7520 -2.3064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0928 -1.0489 -4.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6768 -0.5778 -2.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4506 -0.3285 -2.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5158 -0.3141 -1.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 0.4514 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 0.6255 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 1.4587 1.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 1.5412 2.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7065 2.4014 3.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3832 1.9277 4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 2.7847 5.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8032 2.3823 6.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 0.9927 7.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 0.8307 8.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6176 0.3940 9.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 0.0358 10.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 -1.2811 10.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 -2.5512 9.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 -3.1498 9.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 -2.4481 8.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 3.8077 -1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5006 5.2284 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 5.3947 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 4.9899 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7314 6.3704 -0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5387 4.8614 -2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0759 3.2292 -2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 2.1548 0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 3.7885 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3846 4.5015 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 2.7936 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5722 0.8172 2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3873 0.7858 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4495 0.4176 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0181 -1.2030 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9731 -0.4660 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 -2.1487 -0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5648 -1.5594 -2.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1188 -0.2672 -4.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 0.6858 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 1.9690 -2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3584 0.7787 -5.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9326 2.0466 -5.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 3.1231 -4.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5521 3.5889 -4.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 2.9709 -7.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 3.7892 -8.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 3.8167 -5.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 5.0975 -6.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8285 3.6490 -6.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0491 3.6785 -8.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 -0.7591 -6.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8647 -0.6311 -7.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 -1.0594 -4.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -3.3051 -4.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7022 -2.8705 -6.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1658 -6.1243 -7.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 -4.6081 -3.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 -7.6109 -3.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7927 -7.7193 -4.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3682 -6.3674 -2.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2768 -7.1672 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -5.0404 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5239 -4.2673 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2842 -3.6373 -1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -4.2332 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -4.9974 -3.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 -6.6819 -1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3291 0.3802 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -1.1906 -1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 -0.1726 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3655 1.4119 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6776 1.1264 0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -0.3428 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9412 2.4806 1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 0.9699 2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1056 1.9801 2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3993 0.5374 3.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4811 2.3153 4.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6033 3.4699 3.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4912 0.8889 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 2.0673 3.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 3.8747 5.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5197 3.1434 7.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 0.6739 7.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1359 0.2905 6.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9916 1.0644 8.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 0.3006 10.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5477 0.4022 9.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 0.7496 11.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 -1.1747 11.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 -1.3658 11.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 -3.3184 10.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7735 -2.5150 9.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 -3.3321 10.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0537 -4.2070 9.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8593 -1.9085 8.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 -1.8164 7.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3445 -3.1991 7.5632 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 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 27 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 43 34 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 1 28 99 1 0 28100 1 0 32101 1 0 34102 1 6 35103 1 1 36104 1 0 37105 1 6 38106 1 0 39107 1 1 40108 1 0 41109 1 6 42110 1 0 43111 1 6 44112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 59132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 63139 1 0 63140 1 0 64141 1 0 64142 1 0 64143 1 0 M END