HMDB0287316 RDKit 3D PC(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/20:3(5Z,8Z,11Z)) 142141 0 0 0 0 0 0 0 0999 V2000 5.0381 7.8637 -4.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 7.3639 -3.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9576 5.8656 -2.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8161 5.4334 -1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9148 3.9496 -1.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.3344 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 3.8636 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0895 3.3066 2.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 3.3979 3.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4062 2.3418 3.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8195 0.9486 3.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 0.3183 4.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0049 -0.7441 5.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -1.5576 4.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -1.6098 5.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 -1.2189 6.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 -0.6052 5.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 -1.4476 4.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 -0.9204 3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -0.6490 2.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -0.7071 2.0337 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -0.2952 1.5056 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 0.0346 0.1813 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2824 1.3699 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 1.3371 0.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5213 2.3784 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0136 3.4567 -0.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9756 2.3891 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4555 1.0698 0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7705 0.6862 2.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2526 -0.6666 2.6387 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6182 -0.5780 2.8781 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0038 -1.7280 1.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8856 -2.4741 1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -3.4963 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 -4.2597 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 -4.0959 1.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 -5.3949 2.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 -6.0186 2.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0345 -5.4356 1.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -6.0350 1.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 -5.3892 0.7556 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7675 -6.2313 -0.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -4.0831 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -3.4717 -0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 -2.1377 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 -1.4713 -1.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -0.1403 -2.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.9980 -0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 -0.5287 -2.0439 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 -1.5673 -3.1773 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3245 -1.5583 -2.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 -3.1159 -3.0978 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.5048 -0.9447 -4.7162 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6571 -0.3839 -5.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4039 0.1619 -6.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5639 0.7453 -7.2529 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.3329 2.1848 -7.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 0.1780 -8.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7735 0.5875 -6.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 7.2453 -4.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5122 8.8849 -4.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 7.9535 -4.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 7.7592 -2.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 7.6828 -2.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 5.5304 -3.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 5.3763 -3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7939 5.7420 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 5.9156 -0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8529 3.6288 -1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 3.5554 -2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 3.4494 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0224 2.2466 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9495 3.7966 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7755 4.9898 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9104 4.0010 2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 2.3428 2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6325 4.4109 3.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 2.5565 4.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 0.9380 2.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 0.4095 3.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3098 0.8451 4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6004 -1.0580 6.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -1.1847 3.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -2.6053 4.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -2.0727 6.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 -1.3747 7.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 0.3515 5.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.3974 4.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 -2.4539 4.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 -1.6361 5.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7383 0.0106 4.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 -1.6151 3.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 0.0600 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 1.6013 -1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8529 2.2134 0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2261 3.2081 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5126 2.5616 -0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2321 0.2623 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5647 1.0485 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6907 0.6281 2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0568 1.4290 2.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7534 -0.8305 3.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1444 -1.2509 2.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7408 -1.9336 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1909 -2.2225 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4851 -3.6862 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4972 -5.0235 -0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6846 -3.3170 2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 -3.8880 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1127 -5.8474 2.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 -6.9701 2.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 -4.4992 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -6.9770 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 -5.2789 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4096 -5.9281 -1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1801 -4.2264 -0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6143 -3.3187 0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5783 -4.1820 -1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 -3.2062 0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 -1.4939 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0968 -2.4496 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7401 -1.2304 -1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4571 -2.0886 -2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 0.1425 -3.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -0.1695 -2.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 0.6190 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3847 -0.9568 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -1.9981 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0081 0.3675 -4.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -1.2037 -5.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 -0.6943 -7.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5594 0.8780 -6.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2046 2.6830 -7.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 2.3682 -7.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 2.5813 -6.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 0.6026 -8.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -0.9181 -8.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9507 0.3419 -9.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5957 1.0751 -7.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0527 -0.4714 -6.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6228 1.1226 -5.5071 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 1 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 6 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 1 32104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 42115 1 1 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 M CHG 2 53 -1 57 1 M END