HMDB0296805 RDKit 3D DG(22:0/0:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 133132 0 0 0 0 0 0 0 0999 V2000 -6.5131 5.9560 1.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3672 4.4474 1.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9702 4.0856 1.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3939 3.5684 2.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1749 3.3130 4.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5124 4.1009 5.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9867 3.6907 6.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 2.3575 6.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5019 1.2135 6.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8578 0.1828 5.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 0.0695 5.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 -0.0199 4.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3192 -1.0596 3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9679 -2.1884 4.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3162 -3.2017 4.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 -3.1287 2.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 -2.1118 2.5744 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5649 -4.4563 2.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7998 -4.7504 2.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9309 -4.9206 2.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 -4.8499 0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 -3.7537 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 -3.6710 -0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 -4.3116 -1.7803 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 -2.8414 -1.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9771 -2.5731 -2.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 -1.9609 -3.5936 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9207 -1.8286 -4.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7004 -0.5471 -3.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1062 0.0960 -4.3925 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6607 1.3837 -4.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 1.9319 -3.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0498 2.2154 -5.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 3.5203 -4.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 4.4874 -5.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 5.8068 -5.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5574 5.9929 -4.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 5.4030 -2.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 5.5920 -1.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 4.7014 -0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 4.6261 0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2709 3.8309 1.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5741 2.3964 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 2.1103 0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 0.6498 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 0.2171 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0147 -1.2266 -0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 -1.7630 -1.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1481 -3.1883 -2.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0086 -3.7230 -2.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -5.1352 -3.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5567 -6.1127 -2.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -7.4959 -2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7926 6.1463 0.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3127 6.5638 2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5105 6.1702 1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 4.0158 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 4.0706 2.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3409 4.2489 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 3.2812 2.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1578 2.2215 4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2167 3.6055 4.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4822 5.2055 4.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5369 4.5223 6.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 2.1482 7.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3647 2.4413 7.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6202 1.1139 6.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3866 -0.6652 5.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 0.8846 6.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 -0.8481 6.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 0.8246 3.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 -1.0165 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -2.3526 5.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 -4.0776 4.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 -2.8074 2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8757 -2.4155 2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 -5.2203 2.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -4.3412 1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 -4.8215 3.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8087 -5.1372 2.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6247 -5.7880 0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -4.6230 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 -2.8021 0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0832 -3.9399 1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5036 -3.4737 -2.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8137 -1.8196 -2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2599 -2.6104 -3.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6761 -1.2470 -4.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -0.4318 -2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6211 0.0485 -2.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8506 2.5159 -6.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 1.7197 -5.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2103 3.9375 -3.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6254 3.0979 -4.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7603 4.6541 -6.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 4.0086 -6.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 6.3608 -4.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 6.4616 -6.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 5.6753 -4.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3762 7.1104 -3.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2158 4.3560 -2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 6.0237 -2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0631 6.6240 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 5.2035 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 5.0266 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5762 3.6756 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 5.6948 1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2641 4.2555 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 3.8156 2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 4.3304 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6381 1.7906 2.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 1.9756 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0368 2.7496 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6964 2.3245 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8944 0.5997 -0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1287 0.0038 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1981 0.2818 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 0.8599 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8925 -1.1692 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3088 -1.7923 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 -1.1443 -2.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 -1.7160 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -3.8505 -1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 -3.2553 -2.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 -3.0992 -3.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 -3.7249 -2.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6447 -5.4777 -4.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 -5.1256 -4.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3614 -5.8423 -1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -6.1063 -1.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 -8.0784 -2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -8.0770 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 -7.4159 -3.8679 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 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 6 28 88 1 0 29 89 1 0 29 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M END