HMDB0287263 RDKit 3D PC(20:3(5Z,8Z,11Z)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 141140 0 0 0 0 0 0 0 0999 V2000 -0.8747 5.8858 -6.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 4.7685 -7.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 5.2344 -6.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 4.2202 -6.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 2.9655 -5.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2742 1.9497 -6.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9517 1.4520 -5.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6924 1.9184 -3.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 1.5080 -2.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3654 0.5083 -2.6205 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1736 0.6145 -3.7289 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 -0.9047 -2.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 -1.4591 -3.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 -1.8642 -2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3299 -1.8324 -1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -0.9822 -1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5122 -0.3837 -2.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 0.4647 -1.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4095 1.8613 -2.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5593 2.7950 -2.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0035 2.9817 -0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5492 2.3669 0.0859 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 3.9175 -0.6355 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 4.1219 0.7106 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9477 3.9232 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3127 2.5954 0.4378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9113 1.5203 1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 1.7091 2.2173 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2471 0.0931 0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7549 -0.8060 1.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0325 -2.2782 1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3247 -2.6887 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 -3.6270 0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -4.4018 1.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5748 -4.1920 1.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -5.1582 1.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0094 -6.5677 1.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6433 -7.3946 2.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2425 -8.3188 2.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 -8.6521 1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 -10.0503 1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 -10.4734 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 -10.5150 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 -9.3075 -0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2824 -8.2266 -1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2505 -7.0792 -0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9606 -5.9276 -1.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0296 5.4959 1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4718 5.6245 2.5166 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0074 7.0955 3.1982 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1723 6.9450 4.7089 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0497 8.2977 2.6469 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.4059 7.4782 2.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 7.5836 4.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 7.9126 3.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5559 8.0460 4.8674 N 0 0 0 0 0 4 0 0 0 0 0 0 2.6589 7.0916 4.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8615 7.7130 6.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 9.3479 4.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5462 6.8325 -7.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 6.1159 -5.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8544 5.6379 -7.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 3.8939 -6.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 4.6009 -8.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 6.1059 -7.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 5.6337 -5.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 3.8857 -7.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5045 4.6933 -6.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 3.2816 -4.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 2.5789 -6.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4997 1.5609 -7.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 0.6890 -5.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9281 2.6688 -3.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0288 1.9367 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0937 0.7690 -1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9683 0.0109 -3.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7596 -1.0073 -1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8696 -1.5248 -2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0766 -1.5470 -4.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 -2.2670 -3.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 -1.6208 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -2.8956 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6883 -0.8676 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8932 -0.4798 -3.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 0.0358 -2.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 0.3842 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 2.2960 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 1.8597 -3.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2731 3.8038 -2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4195 2.4607 -2.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 3.4106 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4109 4.5972 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3247 4.2326 1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3706 0.0667 0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8624 -0.1981 -0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2184 -0.4987 2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6503 -0.7201 1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -2.8597 2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1579 -2.3924 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5474 -2.1947 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 -3.9268 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2671 -5.4534 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6212 -4.1800 2.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2461 -3.1239 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3589 -4.8704 2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1359 -6.6956 1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 -6.9864 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 -7.1841 3.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5073 -8.9270 3.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0677 -8.5826 1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8976 -7.9810 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -10.8010 1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3799 -10.2419 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 -9.8463 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -11.5313 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2556 -11.3002 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 -10.9498 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 -8.8454 0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 -9.6070 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 -7.8849 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 -8.5691 -2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 -6.6527 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2847 -7.4498 -1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 -5.2680 -2.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 -6.3735 -2.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -5.2974 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4951 6.2598 0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9242 5.4879 1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 8.4248 4.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 6.6787 4.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7448 8.8932 3.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1385 7.1105 3.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8129 6.8670 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 6.1699 5.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 7.5201 5.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6127 7.8728 6.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6205 6.6484 6.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 8.3877 6.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5201 10.0347 5.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1337 9.2690 5.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 9.7780 3.9702 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 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 2 0 33 34 1 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 1 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 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 1 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 1 25 92 1 0 25 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END