HMDB0277977 RDKit 3D PI(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/22:4(10Z,13Z,16Z,19Z)) 151151 0 0 0 0 0 0 0 0999 V2000 2.1338 -3.2750 -1.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -3.8088 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1661 -4.7106 -1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 -5.9531 -0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -6.6313 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 -7.8648 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 -8.0038 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -7.0096 0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 -6.6541 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5233 -6.7877 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8368 -7.2735 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3741 -6.4663 2.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6535 -5.2073 2.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 -4.3309 1.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7534 -3.0355 1.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1456 -2.4683 2.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1801 -2.8537 3.9007 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9907 -0.9351 2.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1514 -0.2545 4.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 0.3730 4.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 0.2209 3.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2627 1.4712 3.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5587 2.2035 4.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 1.5966 5.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9856 3.5316 3.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8861 4.0225 5.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3477 5.3738 4.5334 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2454 6.3547 4.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 5.9938 3.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 7.2879 3.8246 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3610 8.4139 4.6824 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 7.9754 2.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4104 6.7958 4.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9026 7.8321 5.3088 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1784 8.3423 4.6613 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8539 9.2296 5.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1021 7.1689 4.3709 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8196 6.6967 3.1054 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9229 6.0832 5.4169 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1152 5.3682 5.5552 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5253 6.6345 6.7507 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4535 5.5916 7.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1603 7.2737 6.6763 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1679 6.3731 7.0515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8433 5.1675 3.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 5.3157 2.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 5.6769 3.6383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 5.1000 1.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5192 4.5654 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0975 4.4274 -0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1659 3.9101 -1.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 2.5071 -1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 2.2263 -2.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 0.8226 -2.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2393 0.6098 -4.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 0.8969 -5.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 0.0504 -6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5896 -1.3401 -6.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 -1.4637 -7.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1518 -2.2565 -8.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0049 -3.1616 -8.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 -4.5564 -8.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 -5.5887 -8.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 -5.7573 -6.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -4.6730 -6.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 -4.3697 -4.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 -5.0318 -4.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 -4.0299 -3.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -3.9632 -1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7873 -2.2861 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -3.0341 -2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -4.1923 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -2.8619 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 -4.2722 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 -6.5392 -1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6587 -7.0476 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2546 -5.9870 0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6282 -8.7050 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -8.9824 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4036 -6.0144 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -7.3123 1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1244 -6.2737 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 -6.5456 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6599 -8.1156 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0738 -7.9864 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -7.0299 3.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 -4.8009 3.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2038 -4.6453 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6573 -2.3662 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1503 -2.7630 3.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3127 -2.9420 3.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0236 -0.6747 2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -0.5792 2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0373 -0.2118 4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 0.9095 5.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8404 -0.6340 3.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 -0.1562 4.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0179 2.1080 2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.1634 2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 4.0585 5.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7671 3.3554 5.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 5.7242 5.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5954 7.3745 4.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 6.5151 5.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 8.7634 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 8.6503 5.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9406 8.8282 3.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1706 9.7605 5.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1311 7.5409 4.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2354 5.9071 3.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1727 5.3735 5.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3774 5.0062 4.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2713 7.3750 7.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6254 5.6782 8.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1713 8.1355 7.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9922 5.7693 6.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 4.3863 1.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9811 6.0398 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 3.6194 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6733 5.3080 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 3.7885 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4582 5.4307 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 3.9158 -2.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2827 4.5983 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5509 1.8377 -1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1384 2.3591 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8867 2.9441 -2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3357 2.4537 -3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7452 0.5843 -1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 0.1212 -3.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5567 1.4098 -3.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.3396 -4.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3486 1.9228 -5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 0.3254 -7.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 -1.6625 -5.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4639 -1.9846 -6.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 -0.7956 -7.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 -2.2693 -9.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -2.9576 -7.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -2.8166 -9.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 -4.7175 -9.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -6.5694 -8.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 -6.5115 -6.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 -6.4241 -7.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 -4.1047 -6.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 -3.5115 -4.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 -5.8526 -4.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 -5.3955 -3.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -3.0880 -3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8481 -3.8196 -4.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 -4.5491 -3.1133 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 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 43 34 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 1 28103 1 0 28104 1 0 32105 1 0 34106 1 1 35107 1 6 36108 1 0 37109 1 6 38110 1 0 39111 1 6 40112 1 0 41113 1 1 42114 1 0 43115 1 1 44116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 60138 1 0 61139 1 0 61140 1 0 62141 1 0 63142 1 0 64143 1 0 64144 1 0 65145 1 0 66146 1 0 67147 1 0 67148 1 0 68149 1 0 68150 1 0 68151 1 0 M END