HMDB0261779 RDKit 3D PE(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/18:4(6Z,9Z,12Z,15Z)) 122121 0 0 0 0 0 0 0 0999 V2000 8.3940 2.3126 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5429 2.0103 -1.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4436 0.5495 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2956 -0.0845 -2.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9452 0.5194 -1.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3628 -0.0734 -0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 0.6525 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1795 2.1142 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0908 2.4016 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 3.1516 2.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5411 3.8543 2.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9841 3.3394 4.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 2.7881 4.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8556 2.5785 3.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 3.3282 3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4922 3.2185 2.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2866 3.7150 1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3233 3.1259 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 3.6464 -0.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 1.9311 -0.5168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2846 1.3170 -1.3922 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1532 1.3984 -2.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 0.7869 -3.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6044 1.0734 -2.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 2.0354 -1.7937 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 0.2830 -2.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5324 -0.8883 -3.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6611 -1.9628 -3.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4234 -3.0725 -4.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -4.3063 -3.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 -4.8446 -2.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 -5.8593 -2.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3086 -5.7216 -0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6744 -4.6173 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 -4.5543 1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -3.4969 2.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 -3.5658 3.2635 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 -2.1448 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7402 -1.0430 2.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6843 -0.1445 2.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6025 -0.1540 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9753 -0.3228 1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7099 -1.3505 1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3093 -2.4479 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3837 -3.7698 1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 -0.1536 -1.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 -0.7742 -1.9703 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -2.4009 -1.6276 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4249 -3.1303 -2.4065 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9807 -3.0520 -2.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -2.7760 0.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -3.9625 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -4.3212 1.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3229 -3.2520 2.5702 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8652 3.1249 -0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3812 2.7003 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5305 1.3951 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 2.3750 -2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6198 2.5773 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3759 -0.0278 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -1.1857 -2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 0.0851 -2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 1.5824 -1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -1.1671 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 0.1878 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4676 2.6245 -0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1472 2.5059 0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1074 1.9530 1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5781 3.3027 3.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 4.9708 3.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9254 3.8119 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6578 3.4650 4.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 2.4486 5.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 2.6096 2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5668 1.4809 3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 4.4328 3.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 2.9572 4.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 3.7924 2.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9385 2.1589 2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3206 3.7512 0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9954 4.8249 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2847 1.8602 -1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6756 0.9279 -3.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 2.4856 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5442 0.9371 -3.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2969 0.0136 -1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5202 -1.3803 -4.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1009 -0.5124 -4.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6751 -1.4693 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0848 -2.3490 -2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8868 -2.8069 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -5.0166 -4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8531 -4.0510 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -5.4108 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3268 -6.7363 -2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -6.5095 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2971 -3.8001 -0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -5.3984 1.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 -3.6334 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0212 -3.7742 4.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3284 -2.0487 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 -2.1315 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 -0.9315 3.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 0.6538 3.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6132 0.9005 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2849 -0.7859 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3473 0.4478 2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7199 -1.3831 1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3125 -2.3849 0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0303 -2.4397 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9417 -3.5869 2.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4306 -4.1354 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7304 -4.4901 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4702 -0.7090 -1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9614 -0.2705 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.0376 -2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0386 -3.7898 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6177 -4.8269 -0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6887 -4.4023 1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 -5.2984 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3558 -3.4112 2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8426 -3.2398 3.5036 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 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 21 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 6 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 50116 1 0 52117 1 0 52118 1 0 53119 1 0 53120 1 0 54121 1 0 54122 1 0 M END