HMDB0262618 RDKit 3D PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 129128 0 0 0 0 0 0 0 0999 V2000 14.1090 4.9842 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9507 4.0277 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9781 3.0101 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8986 1.7284 -0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7113 0.9006 -0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4006 1.4749 -0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4264 1.4629 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5254 0.8594 1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5134 -0.2034 1.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5151 -0.2733 2.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2584 0.6954 3.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0235 1.4886 3.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0509 1.5451 2.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9124 0.8192 1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7158 1.9036 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 1.9010 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6074 0.8763 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 0.1615 -1.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 -0.9607 -2.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1934 -0.6320 -1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 0.5101 -1.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2308 -1.6366 -1.9683 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -1.5647 -1.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -1.2081 -0.4106 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1680 -2.1608 0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 -2.1063 0.4073 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 -3.1748 1.4890 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6862 -2.6216 1.7134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -3.2335 2.9783 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 -4.7360 0.8397 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2364 -4.7360 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3192 -6.1296 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 -6.9947 0.1863 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 -1.2402 -0.2961 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -0.2289 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 0.9407 0.1509 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -0.5729 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2874 -1.9452 0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6263 -2.5761 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3745 -2.7872 -0.5128 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6411 -1.5940 -1.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5291 -3.6783 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6848 -3.3462 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7623 -4.3246 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9411 -4.0662 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3568 -2.7256 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5285 -2.2422 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5368 -1.1487 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3988 -0.2711 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4611 0.8489 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3401 1.7956 -1.1350 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5567 1.9207 -0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0077 3.1690 -1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8521 3.4029 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6148 4.6864 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7505 5.9058 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7046 7.1088 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1376 5.4621 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8397 5.7660 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3765 4.3404 1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2097 4.6794 -1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9234 3.7601 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0264 3.4428 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8849 1.1656 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8666 0.0958 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6963 0.1880 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1997 1.9205 -1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4685 1.9353 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3966 1.6644 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4888 0.4068 1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6351 -0.9962 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8302 -1.1923 2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1073 1.4420 3.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3283 0.1429 4.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8729 2.1663 4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 2.2227 2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0944 0.1169 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7862 0.2397 0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5138 2.6342 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5342 2.7055 -1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 1.4748 -0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5581 0.2504 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 -0.1644 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 0.9085 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9377 -1.7864 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -1.3781 -3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4884 -0.7216 -2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6212 -2.4849 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -0.1865 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1597 -3.2041 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0817 -1.7598 1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -2.6333 3.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 -3.9946 -1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2768 -4.4549 0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3472 -6.5458 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 -6.1517 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 -7.9593 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8477 -6.6399 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7399 0.1765 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6217 -0.5639 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8947 -1.8279 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6008 -2.6516 0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4893 -3.5246 1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2144 -1.9056 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6215 -3.3261 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4639 -1.6183 -2.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 -4.7492 -0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8599 -2.3345 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5413 -5.3596 0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6645 -4.8893 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5636 -2.0018 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7663 -2.8802 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4210 -2.9003 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4721 -0.9104 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4627 -0.4436 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4121 1.0266 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7245 1.5087 -2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1006 2.8133 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6929 3.0761 -2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2844 3.9642 -1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1182 3.4967 0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5219 2.5658 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3581 4.5948 -0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1641 4.7816 0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0924 5.9763 0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1791 5.9009 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6116 6.8522 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0057 7.2720 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1866 7.9955 0.1230 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 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 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 23 88 1 0 24 89 1 1 25 90 1 0 25 91 1 0 29 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 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 6 41106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 48114 1 0 49115 1 0 50116 1 0 51117 1 6 52118 1 0 53119 1 0 53120 1 0 54121 1 0 54122 1 0 55123 1 0 55124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 57129 1 0 M END