HMDB0298062 RDKit 3D DG(a-21:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/0:0) 131130 0 0 0 0 0 0 0 0999 V2000 18.7134 0.8990 1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2079 0.5631 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2596 1.5961 -0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0218 1.3293 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3750 0.0011 -0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2101 0.1274 0.0965 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7596 0.4995 1.3283 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4991 -1.1497 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2859 -1.3170 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5498 -2.5571 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3563 -2.7380 -0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6880 -1.7124 -1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4794 -1.9138 -1.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7958 -0.8746 -2.6854 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7406 -0.3245 -3.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2617 0.2492 -1.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5849 1.2844 -2.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 1.6458 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 0.9884 -1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 0.3444 -2.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9775 -0.9274 -2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -1.9164 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0783 -2.6568 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -1.7820 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -2.2787 1.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -0.3971 0.7918 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 0.4668 1.7753 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2328 1.3671 2.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6398 2.1794 3.2653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 1.4014 1.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0571 0.6741 0.8056 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 -0.1582 1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5642 -0.2935 2.7917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0122 -0.8929 0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7249 0.0573 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1445 1.2453 0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0305 1.0059 1.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3011 0.3389 1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3285 0.9570 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0822 1.0205 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0359 1.7022 -1.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4342 1.2975 -1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3547 1.4356 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7623 0.9773 -0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7079 1.1340 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4014 0.3521 1.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5018 0.5264 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8059 -0.0606 2.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7954 -0.1635 1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7549 -1.1631 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7135 -1.3547 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0943 -1.0557 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0585 -2.0775 -1.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7975 0.7774 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4667 1.9643 1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2378 0.1904 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1354 0.6081 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8690 -0.4685 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6264 2.6403 -0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4232 2.2164 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0108 -0.2612 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0378 -0.7809 -0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5510 0.9218 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0034 0.8879 1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8836 -1.9763 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8936 -0.4912 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0205 -3.3553 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 -3.7024 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1193 -0.7508 -1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0221 -2.8883 -1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 -1.2907 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5747 -0.8229 -3.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7301 -0.2235 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1736 0.7250 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 1.8308 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8954 2.4563 -3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9869 1.8868 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9678 0.4579 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 1.0142 -2.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -1.2635 -2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 -1.4204 -0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 -2.6802 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 -3.3567 -0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8577 -3.3078 0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6908 -0.1391 2.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0142 0.7164 2.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 2.0194 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 2.4258 3.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.9844 0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 2.0923 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 -1.7816 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 -1.2447 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5471 -0.4094 -0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9838 0.3986 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 2.1243 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1286 1.5936 1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2324 2.0381 2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 0.5155 2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7505 0.1639 2.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1837 -0.7432 1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2729 0.3353 1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6379 1.9750 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9156 -0.0580 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 1.4980 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6228 1.7172 -2.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 2.8379 -1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4928 0.2472 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9017 1.8984 -2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4522 2.5017 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1684 0.8495 0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7112 -0.0228 -1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9883 1.6766 -1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6955 2.2744 0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7394 1.0207 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4547 0.7939 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2056 -0.7153 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5914 1.6729 2.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0355 0.2065 3.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3395 0.3610 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6632 -1.1565 2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0521 0.8814 0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8102 -0.3592 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8658 -2.1876 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6957 -1.4642 -0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8961 -2.3272 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6589 -0.5263 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8825 -1.3179 0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1120 -0.0510 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1240 -2.2269 -1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4934 -1.7891 -2.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7753 -3.0974 -1.2263 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 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 50 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 6 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 6 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 1 28 86 1 0 28 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M END