HMDB0284199 RDKit 3D PE(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/22:5(4Z,7Z,10Z,13Z,16Z)) 137136 0 0 0 0 0 0 0 0999 V2000 5.9465 2.3200 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 1.1980 1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3099 0.7400 2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 -0.4658 2.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5793 -1.5619 2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 -2.0863 2.7761 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3603 -1.1014 2.8892 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7487 -3.2179 2.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 -3.6990 2.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0598 -4.7813 1.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 -5.3218 1.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 -5.0125 2.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 -4.0129 3.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -3.0444 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0936 -2.8693 2.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9474 -1.8543 2.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0534 -1.5940 1.7170 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2022 -1.2066 2.4135 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 -0.7994 0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 0.5051 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9486 1.2861 1.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 2.2434 1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9694 3.3019 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8728 4.2655 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 4.1170 1.6915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 5.3519 -0.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 6.3440 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 6.0847 -0.3632 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1148 5.5932 -1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2233 5.5892 -2.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 5.0738 -3.7739 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3653 3.9033 -4.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8103 4.7483 -4.2995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 6.3834 -4.6383 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 5.8394 -5.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 6.9038 -6.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3244 6.2877 -7.7672 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3032 5.2533 0.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 5.7045 1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 6.9159 1.1505 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0439 4.8206 2.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 4.2415 3.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 3.4300 4.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 2.1582 4.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 1.3466 3.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 0.1936 3.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -0.0061 1.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9103 0.9780 0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 1.4593 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 1.3202 -1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 0.6970 -2.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6989 -0.4728 -2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -1.6592 -2.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.0833 -2.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 -3.1425 -1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 -4.3433 -1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1209 -4.6852 -2.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5184 -5.0732 -1.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 -6.2731 -1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1008 -6.5219 -0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7053 -5.3188 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4440 3.2192 1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 1.9802 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 2.5372 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6666 0.4656 0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8938 1.6908 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7531 1.5252 3.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4634 -0.6216 3.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4248 -1.2828 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3401 -2.3901 2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -2.3977 3.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7113 -0.2470 3.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 -3.6522 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0038 -3.1980 2.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 -5.1914 0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6595 -6.1909 0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1237 -5.0343 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -6.0200 3.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5464 -4.0204 4.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 -2.2952 4.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 -3.5042 1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 -1.1873 3.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3391 -2.6494 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 -1.4797 3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 -1.3214 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4454 1.1026 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0158 1.9081 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 0.6967 2.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9805 1.6040 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3973 2.6512 2.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9444 3.8732 0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9541 2.7973 -0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 7.1011 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 6.9460 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1696 7.1187 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 6.1004 -2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4356 4.5097 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 3.7829 -4.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 5.0475 -5.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7742 5.3681 -6.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 7.6867 -6.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 7.3230 -5.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 5.4324 -8.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 5.9493 -7.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 5.3909 2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 3.9787 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2631 3.7465 2.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 5.1064 3.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 3.9218 4.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 1.6296 5.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 1.8574 3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0997 0.8549 4.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 -0.5888 3.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0091 -0.8920 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 0.4598 0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5406 1.8802 1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8765 1.9360 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0387 1.7257 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8138 1.4381 -3.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2259 0.4448 -1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6329 -0.2650 -3.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 -2.4482 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8565 -2.3283 -2.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4538 -1.1875 -1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 -2.9254 -0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 -5.1422 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -4.0924 -3.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 -5.7056 -2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 -5.3483 -2.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 -4.2459 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 -6.1854 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2241 -7.2132 -1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2382 -7.4012 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6121 -6.7050 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0082 -4.9893 0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6627 -5.6272 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9929 -4.5064 -0.8595 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 1 0 6 8 1 0 8 9 2 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 28 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 1 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 6 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 23 91 1 0 23 92 1 0 27 93 1 0 27 94 1 0 28 95 1 6 29 96 1 0 29 97 1 0 33 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 53122 1 0 54123 1 0 54124 1 0 55125 1 0 56126 1 0 57127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 61137 1 0 M END