HMDB0264218 RDKit 3D PA(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,10E,14Z)-OH(12S)) 118117 0 0 0 0 0 0 0 0999 V2000 -14.8119 -1.3561 -3.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3343 -1.2652 -3.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1117 -0.4405 -4.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4330 0.6683 -4.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7164 1.3979 -3.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7130 0.9609 -2.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6760 0.5937 -1.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3082 0.5864 -2.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8317 -0.8208 -2.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7713 -1.1424 -1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 -0.1813 -0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8985 -0.5003 0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0164 0.5296 1.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9385 0.3263 3.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3963 -0.9836 3.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9927 -1.2954 3.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0932 -0.2410 3.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 -0.4278 3.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0488 -1.2464 4.0151 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 0.1789 2.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4615 -0.0175 2.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 0.4870 3.2090 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8928 1.9593 3.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 2.2775 4.6996 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 3.8610 5.1608 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0918 3.8522 6.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 4.8753 4.7945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 4.4045 4.5452 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5971 0.3655 3.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2684 -0.3313 4.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 -0.8332 5.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 -0.5171 4.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4628 -0.0476 3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 -0.8220 1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3648 -2.2620 2.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2259 -2.9407 1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0389 -2.4159 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8395 -3.1080 -1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4261 -2.5800 -2.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 -1.1583 -2.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 -0.6288 -3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 0.7545 -3.6668 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2030 1.1655 -2.9468 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4981 1.6861 -3.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9951 1.7006 -2.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2086 1.4062 -1.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3138 0.9947 -2.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7906 -0.3791 -2.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9230 -0.9207 -2.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1423 -0.0369 -2.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6671 0.1575 -1.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4469 -1.3227 -3.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0439 -2.2754 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1030 -0.5125 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7456 -1.1536 -2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0957 -2.3546 -3.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5944 -0.8185 -5.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4193 1.0962 -5.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7005 1.6541 -4.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1956 2.4728 -3.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6807 0.9547 -1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7833 0.2662 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7310 1.3010 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2691 0.9721 -3.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4613 -1.5615 -2.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4991 -2.2237 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8473 -0.4253 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0297 0.8640 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5297 -1.5352 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9306 -0.4766 1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5174 1.5244 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 0.5907 1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3632 1.1493 3.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9816 0.3945 3.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0716 -1.8403 3.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3548 -0.9380 4.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9466 -1.3706 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -2.2962 3.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1931 -0.2332 4.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4074 0.7607 3.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6851 -1.0480 1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 0.6224 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.0428 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2066 2.0423 3.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2697 2.5803 2.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9702 4.6326 3.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 4.1079 3.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 0.0797 5.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9756 -1.5942 4.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1429 1.0188 2.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5596 0.0255 3.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -0.7568 1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5852 -0.3710 1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8401 -2.8169 2.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3829 -4.0182 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1222 -2.6601 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0368 -1.3439 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0696 -4.1888 -1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3304 -3.2389 -3.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 -0.5090 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6515 -1.3492 -4.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 0.8059 -4.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2345 2.1693 -2.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2684 1.6056 -4.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.7315 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 1.9950 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 1.4795 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9748 0.8573 -3.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1489 1.7221 -2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1007 -0.2957 -0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9653 -1.1158 -2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2443 -1.8699 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6468 -1.2176 -3.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0225 0.8865 -3.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9358 -0.6253 -3.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2167 1.1137 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3701 -0.6266 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7730 0.2603 -1.4275 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 22 29 1 0 29 30 1 0 30 31 2 0 30 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 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 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 0 21 82 1 0 22 83 1 1 23 84 1 0 23 85 1 0 27 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 39 99 1 0 40100 1 0 41101 1 0 42102 1 6 43103 1 0 44104 1 0 44105 1 0 45106 1 0 46107 1 0 47108 1 0 47109 1 0 48110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 51118 1 0 M END