HMDB0286313 RDKit 3D PC(18:1(11Z)/20:3(8Z,11Z,14Z)-O(5,6)) 139139 0 0 0 0 0 0 0 0999 V2000 0.2004 -3.8632 2.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 -2.3797 3.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -1.6204 2.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4871 -1.9867 2.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 -1.6465 4.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0515 -2.0767 4.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -1.3746 5.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 0.0498 5.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0439 0.8432 4.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 1.8486 4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 2.5229 3.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 2.6498 2.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9025 2.2037 1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7154 1.4753 1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 2.1789 1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 2.4426 -0.1381 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.5512 0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 4.2534 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0173 5.6398 0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3075 6.2933 0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3852 5.6656 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 6.4483 -0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 4.3660 -0.1287 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 3.9805 -0.9397 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9676 3.2125 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6546 1.9368 0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6854 1.2188 0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8639 1.7136 0.7216 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5444 -0.1164 1.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1639 -0.6965 1.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1438 -2.0867 1.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0197 -3.0582 1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5851 -3.2562 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 -3.8589 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -5.2042 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9166 -5.9712 0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 -6.3209 -0.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 -5.2652 -1.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 -5.2477 -1.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 -6.2385 -1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7184 -5.4711 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 -6.4367 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 -5.8787 1.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6033 -4.8249 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 -3.5386 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2066 3.2170 -2.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2551 2.8231 -2.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7005 1.9969 -4.3048 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2814 1.4741 -4.1044 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 0.6536 -4.5457 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8154 2.9582 -5.6932 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3469 4.2599 -5.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5015 4.9954 -6.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0661 6.3565 -6.7516 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.2214 6.6755 -5.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 6.7823 -7.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 7.1958 -6.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -4.1482 1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7906 -4.3149 3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9281 -4.2902 3.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 -2.0770 4.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 -2.0870 2.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9672 -0.5274 2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -1.8216 1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 -3.0668 2.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 -1.4345 2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4774 -0.5855 4.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -2.1634 4.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -3.1597 4.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0043 -1.8818 5.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 0.1985 6.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 0.4726 5.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0758 0.4646 5.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9689 2.2653 3.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8585 3.5974 3.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 2.1266 3.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6927 3.2068 1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0531 2.3944 0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6476 1.1683 2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 0.4983 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4901 1.6732 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 4.1759 0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7998 3.6009 0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0459 4.3196 2.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8697 6.2520 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 5.5584 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 6.2437 1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 7.4008 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3308 4.8710 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7435 3.0428 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5143 3.8366 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2526 -0.7910 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9129 -0.1540 2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 -0.7646 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4521 -0.0924 1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4791 -2.0295 2.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 -2.4325 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0579 -2.6724 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0414 -4.0085 1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 -2.2987 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2701 -3.9534 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 -3.9944 -1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 -3.1666 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0102 -5.7895 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5161 -5.1140 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 -5.4285 0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0838 -6.9617 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -7.2484 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9647 -6.7448 -1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1048 -4.4518 -2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2368 -4.4233 -2.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 -7.0730 -0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4254 -6.6345 -2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 -4.9824 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 -4.7473 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0807 -7.2065 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 -6.9437 -0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1418 -5.5031 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3120 -6.7364 1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 -4.5773 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2105 -5.1949 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5894 -2.6945 0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 -3.4208 0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0367 -3.4002 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 2.3518 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 3.8959 -2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 4.1577 -5.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8859 4.7157 -4.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 4.4559 -7.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5513 4.9534 -7.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 6.7070 -4.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8297 7.7140 -5.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 6.0322 -5.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 7.5015 -7.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9726 5.9417 -8.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 7.3571 -8.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 8.0923 -6.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7118 7.4293 -7.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0098 6.6315 -6.0174 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 1 0 15 16 1 0 16 17 1 0 17 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 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 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 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 17 15 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 14 80 1 0 15 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 50 -1 54 1 M END