HMDB0008720 RDKit 3D PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 141140 0 0 0 0 0 0 0 0999 V2000 2.9019 -0.5628 4.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 -1.5400 5.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 -1.0305 7.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -0.7526 7.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 -0.9291 7.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2492 0.3633 7.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 0.9776 7.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 0.4774 5.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6555 0.2327 5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1527 -0.9315 5.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3929 -2.1436 4.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -3.1990 5.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -4.3288 5.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 -4.6768 4.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8801 -5.8338 3.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1717 -5.8260 2.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9971 -4.6720 1.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -4.2555 1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1478 -3.8959 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 -3.4561 2.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3793 -4.5130 1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -4.0914 1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 -4.5210 1.9852 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 -3.2301 0.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 -2.7548 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8629 -1.7685 -1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 -0.4917 -0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 -0.6605 -0.0742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6474 0.7675 0.6506 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7689 1.9326 -0.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7244 1.0746 1.9406 O 0 0 0 0 0 1 0 0 0 0 0 0 1.0855 0.6034 1.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1623 0.3467 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2089 0.1709 0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 -0.0947 -0.1235 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.4864 1.0701 -0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 -0.3842 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9822 -1.2319 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0332 -2.3115 -2.3037 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 -2.7666 -2.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6953 -2.2652 -2.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -1.2175 -3.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2393 0.1189 -3.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1511 1.1076 -4.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4044 1.3107 -5.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 1.8713 -4.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 3.2296 -3.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 4.4068 -4.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3405 4.8075 -5.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 5.1364 -4.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 4.6552 -4.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4548 3.6643 -5.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5676 4.2818 -6.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1165 3.2995 -7.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 2.0945 -7.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2636 1.1464 -8.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8903 -0.0670 -7.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 -1.0967 3.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7236 0.0640 5.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0892 0.1265 4.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 -2.4487 5.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -1.9069 5.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 -0.8701 7.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 -0.3560 8.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1178 -1.4771 6.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 -1.5437 8.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 0.8555 8.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4646 1.9101 7.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -0.3178 5.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 1.2990 4.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3211 1.0760 5.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2492 -1.0155 5.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -1.9983 5.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5147 -2.4668 3.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4215 -3.0057 7.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 -5.0935 6.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -3.8501 3.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -5.0915 4.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -6.7658 4.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6482 -6.7531 2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3962 -5.0080 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 -3.8047 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 -4.9898 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6764 -3.3389 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 -2.9697 3.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1871 -4.6815 3.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -3.2032 3.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -2.5187 1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4953 -5.3562 2.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 -5.0071 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 -2.1342 0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -3.5368 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8483 -1.5361 -1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 -0.2395 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3626 0.3501 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -0.4427 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1162 1.2826 -0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 1.0447 1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2019 -0.6916 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.8950 -1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0069 1.9316 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5815 1.2096 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 0.3033 1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3466 -0.3494 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3662 -1.4130 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 -0.9925 -1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6546 -2.0967 -0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 -1.6356 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 -3.5474 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6995 -2.6515 -2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0494 -1.5110 -4.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 -1.1525 -4.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 0.5188 -2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 0.0369 -2.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8175 2.1074 -3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 0.8338 -5.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 1.7898 -6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7211 0.2506 -5.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 1.8472 -5.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9873 1.1259 -3.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 3.3614 -3.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4867 3.2965 -3.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4264 4.4134 -5.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8277 5.3106 -4.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6454 5.7111 -6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 4.0439 -6.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3393 5.8808 -3.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8224 4.9940 -4.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3119 3.2134 -6.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 2.8504 -5.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 4.6395 -6.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1616 5.1434 -7.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9468 3.8286 -8.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3897 3.0131 -8.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0599 1.5685 -6.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 2.4053 -6.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4647 0.7783 -8.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1068 1.6237 -8.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1084 -0.8887 -8.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8284 0.2720 -6.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 -0.4262 -6.5968 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 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 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 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 36100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 38108 1 0 40109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 57141 1 0 M CHG 2 31 -1 35 1 M END