HMDB0284391 RDKit 3D PE(18:2(9Z,11E)+=O(13)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 128127 0 0 0 0 0 0 0 0999 V2000 15.6498 -2.2599 1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3362 -3.0271 1.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0469 -3.9855 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9930 -4.0683 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -3.2652 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5882 -2.2007 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5128 -0.9298 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5947 -0.2036 -0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8462 -0.9077 -2.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0278 -0.9307 -3.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6983 -0.2260 -3.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6659 0.7425 -4.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4468 2.0015 -4.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2004 2.6278 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8872 3.3219 -2.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8880 3.0476 -2.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9382 1.9988 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7418 2.5741 0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 2.2522 1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7419 1.2684 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 1.9334 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3406 0.8885 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7055 -0.2648 0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 1.1525 0.5232 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0383 0.2312 0.2400 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9031 0.6839 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9204 -0.2781 -1.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 -0.1061 -2.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8131 0.9373 -2.7975 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 -1.1066 -2.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2993 -0.6205 -1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 -0.3107 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7284 0.1922 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9060 0.5136 1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7323 -0.5633 2.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6669 -1.7183 2.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7464 -2.4991 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8582 -2.6508 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1012 -2.0537 0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2354 -2.2025 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4810 -1.5949 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4611 -0.9083 1.6025 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7645 -1.7363 -0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8698 -1.0346 0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1711 -1.1832 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0938 -0.5724 -1.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4341 -0.7301 -2.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8357 0.0981 1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 1.3632 1.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2228 1.2122 3.3361 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6889 0.0430 4.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8456 0.9614 2.9343 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0288 2.6166 4.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 3.7696 3.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8842 4.9388 4.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 4.8128 5.1321 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7488 -1.4419 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4889 -2.9731 1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5994 -1.9262 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6027 -3.5943 2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6279 -2.2821 1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8567 -4.7591 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0328 -4.9268 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5123 -3.0833 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9467 -4.0963 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 -2.5099 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3567 -0.2958 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6813 0.4601 -0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4772 0.5481 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8242 -1.4448 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3697 -1.5228 -4.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 0.0553 -2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0031 -1.0684 -3.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8482 0.3068 -5.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4439 2.6638 -5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9512 3.4951 -2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.0373 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7153 4.1368 -3.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9312 3.6065 -2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8475 1.4000 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1329 1.2665 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4823 3.3280 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 2.7323 2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8872 0.6168 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7073 0.5695 1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2559 2.3345 1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 2.6972 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 -0.7269 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 0.6584 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2754 1.7043 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9766 -1.3857 -3.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7331 -2.0368 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9793 -1.4977 -2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6584 0.2147 -2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 0.5152 -0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0778 -1.2265 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4971 -0.4067 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7833 1.1949 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1946 1.3371 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9270 0.9404 1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6934 -0.9696 2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8682 -0.0881 3.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2241 -2.4519 3.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6351 -1.4616 2.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8070 -2.9679 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8119 -3.2692 -0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1799 -1.4491 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2235 -2.7925 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0062 -2.7854 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6105 -1.1593 -1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6161 0.0529 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9398 -1.4296 1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4651 -2.2713 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9802 -0.6715 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9026 0.5206 -1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2994 -1.0125 -2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6042 0.1869 -2.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1916 -0.8538 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4189 -1.6134 -2.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -0.2171 2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7005 -0.5831 1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 1.7237 3.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 3.8823 2.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1619 3.7792 2.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0035 5.9048 3.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6843 4.8510 5.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0454 5.5826 4.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 3.9040 4.8972 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 25 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 6 26 89 1 0 26 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 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 47119 1 0 48120 1 0 48121 1 0 52122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 M END