HMDB0289689 RDKit 3D PC(P-18:1(11Z)/18:1(12Z)-O(9S,10R)) 136136 0 0 0 0 0 0 0 0999 V2000 0.7150 -1.6960 7.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 -2.0597 6.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -2.5343 5.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -2.9300 4.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 -3.3885 3.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 -4.5359 3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -5.7100 2.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4461 -6.0079 2.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3937 -6.4436 1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8343 -5.3111 0.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1097 -5.8362 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 -6.5837 -1.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9736 -5.8974 -2.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -4.5771 -2.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0373 -4.6708 -3.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5094 -3.3359 -3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1092 -3.5433 -4.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -2.3839 -4.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.1807 -4.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -1.0811 -3.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 -0.1105 -4.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2493 1.0836 -3.8979 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1772 1.1274 -3.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1219 1.0412 -4.5298 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4604 1.0226 -4.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1998 -0.0561 -4.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6334 -0.1727 -3.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6719 -1.3425 -2.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 -1.5900 -2.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0081 -2.7934 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 -2.5651 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4024 -1.3944 0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4334 -1.1448 1.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0351 -0.8275 1.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 -0.5970 2.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5283 0.5428 2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6433 1.6937 1.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 2.1757 1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 1.2603 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0597 0.0743 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 0.2178 1.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 0.9551 2.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7025 2.2973 -4.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 3.4354 -4.2586 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3164 4.8434 -3.7377 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9402 5.5443 -4.3305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 5.9696 -4.1692 O 0 0 0 0 0 1 0 0 0 0 0 0 0.1936 5.0237 -2.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4275 5.4124 -1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 5.6097 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6384 6.0123 0.5355 N 0 0 0 0 0 4 0 0 0 0 0 0 3.1037 5.0546 1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 7.2999 1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6913 6.1381 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 -1.3806 8.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 -0.8190 6.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 -2.5158 6.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 -2.8674 7.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 -1.1358 6.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 -3.4332 5.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 -1.6992 4.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 -3.6970 5.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 -1.9957 5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 -3.5248 3.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0982 -2.4853 2.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 -4.3955 3.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 -6.5520 2.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 -6.8776 3.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -5.2270 2.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 -7.3050 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -5.2140 0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5759 -7.6301 -1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1636 -6.7460 -1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0561 -5.8420 -2.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9834 -6.6080 -3.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4415 -3.8319 -1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 -4.2465 -3.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0457 -5.3583 -4.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3166 -5.0348 -2.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -2.5842 -3.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1421 -2.9625 -4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4751 -3.8864 -3.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0758 -4.3855 -5.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 -2.6423 -5.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -2.0838 -5.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 1.0782 -2.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 2.0380 -2.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3604 0.2528 -2.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8985 1.8800 -3.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7282 -0.8985 -4.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2174 -0.4471 -4.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9698 0.7194 -3.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2283 -2.2488 -3.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9756 -1.1081 -2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4118 -0.6804 -1.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6836 -1.8977 -3.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0243 -2.9749 -1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6173 -3.6419 -1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1414 -3.4760 0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0217 -2.5781 -0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3903 -1.5755 1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5362 -0.4654 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8488 -0.3081 2.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4412 -2.0452 2.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7158 -1.7437 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 -0.0424 0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -1.4472 3.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 0.5897 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 2.5943 2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 1.6372 0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 3.1287 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 2.5081 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4574 0.8694 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 1.8353 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3821 -0.4919 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 -0.6943 1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 -0.8071 1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1483 0.6499 0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 0.5916 3.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 2.0414 2.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 0.8346 3.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 2.0584 -4.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 2.1529 -5.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 6.3803 -1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 4.6906 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 6.2637 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 4.5979 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0928 5.4010 1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 4.9839 2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2654 4.0595 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4621 7.6833 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8797 7.9890 0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8982 7.1292 2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6039 6.4782 0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4677 6.9573 -1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9586 5.1851 -0.8912 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 1 0 10 11 1 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 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 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 22 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 11 9 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 1 23 87 1 0 23 88 1 0 25 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 52128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M CHG 2 47 -1 51 1 M END