HMDB0286668 RDKit 3D PC(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) 133132 0 0 0 0 0 0 0 0999 V2000 1.2489 0.4832 -8.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -0.9095 -8.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -1.6471 -7.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3791 -3.0154 -7.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6289 -3.8410 -5.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0249 -3.1651 -4.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 -3.5897 -4.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4932 -4.9608 -4.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9424 -4.8486 -4.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -5.4277 -3.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 -6.2353 -2.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -5.8885 -1.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4976 -4.8066 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 -3.6959 -1.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4833 -2.6031 -1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8678 -1.4995 -2.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6896 -1.5698 -3.2807 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4608 -0.2948 -1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7557 -0.4316 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2738 0.9348 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1142 1.8636 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2011 2.6890 -0.6728 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9518 1.8035 0.9932 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8095 2.6585 0.6992 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7176 1.6834 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 2.1696 0.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4903 1.1781 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 -0.0128 -0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8693 1.4833 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8932 1.4908 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 1.7951 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 1.8999 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 0.7579 1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7523 0.7074 2.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 1.8682 3.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3478 1.8881 4.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 1.0140 5.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 -0.4069 4.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 -0.6696 4.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 -1.3153 3.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2309 -2.0469 2.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 -2.4069 2.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0959 -3.3948 3.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 -3.6924 3.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9045 -4.3036 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5415 3.5594 1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2014 2.8662 3.0102 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 3.9238 4.2912 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6181 3.3389 5.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7874 5.3577 3.9813 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3490 4.1868 4.6712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7354 4.9246 3.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 5.1433 4.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 5.9140 3.1228 N 0 0 0 0 0 4 0 0 0 0 0 0 0.6051 6.9370 2.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 6.5368 3.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8687 5.0096 2.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3158 0.8835 -9.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 1.1413 -7.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2746 0.4725 -8.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1339 -1.4776 -9.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 -0.8716 -8.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 -1.7189 -7.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 -1.0872 -6.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -2.8881 -7.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7096 -3.5977 -8.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -4.8883 -6.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -3.7587 -5.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4285 -2.1516 -4.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 -2.9755 -3.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 -5.5307 -3.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -5.5337 -5.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2682 -4.2426 -5.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9425 -5.2984 -4.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5425 -6.7430 -2.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -7.2203 -2.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 -6.6387 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7214 -4.6907 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 -3.6131 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6476 -2.6002 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8498 0.6158 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4549 -0.1393 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8017 -0.6767 0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4682 -1.2355 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0974 1.2347 -0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4478 0.8727 1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0575 3.2953 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 1.0141 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1346 0.9596 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2228 0.6549 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 2.3982 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 0.5004 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5427 2.2443 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 2.7422 -0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4004 1.0113 -0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 2.8981 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 1.9965 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9923 -0.1822 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0844 -0.2439 3.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3479 2.2103 4.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3272 2.7940 3.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 2.9470 5.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 1.3207 5.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -0.8264 4.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4646 -0.9569 5.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2157 -0.2009 5.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5797 -1.3004 3.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 -3.0746 2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8862 -1.6694 1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3988 -1.6283 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -2.9947 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 -4.3822 3.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 -3.1286 4.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0876 -2.7042 3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9069 -4.3145 4.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4531 -3.5883 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9724 -4.6791 1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 -5.1456 2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4381 4.2082 2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 4.2346 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2649 5.8606 3.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 4.3332 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 4.1468 4.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 5.6971 5.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 7.5426 3.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 7.6018 1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0548 6.4826 1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 7.2154 4.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2924 5.7179 4.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 7.1187 2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 4.2493 2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 5.5709 1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9888 4.5415 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 6 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 55125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 57133 1 0 M CHG 2 50 -1 54 1 M END