HMDB0282981 RDKit 3D PS(20:3(5Z,11Z,14Z)-O(8,9)/22:1(13Z)) 145145 0 0 0 0 0 0 0 0999 V2000 13.0387 3.1741 2.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9113 1.9842 2.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7262 1.5833 1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6209 0.4026 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5448 -0.1062 -0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1808 -0.4984 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4596 0.0346 -1.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9248 1.0890 -2.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3064 2.3842 -2.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3310 2.8462 -2.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5695 2.1767 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0786 2.0742 -1.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8565 1.3684 -2.5921 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5036 2.7287 -2.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9904 2.9550 -2.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2912 1.6693 -2.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4621 1.2535 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0892 2.0564 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 2.3440 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7412 1.1321 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 0.2133 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 0.3845 1.7081 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1732 -0.9495 0.8264 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3098 -1.9039 1.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 -3.0052 1.6012 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5668 -3.7452 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 -4.8171 0.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 -5.6890 -1.2268 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2898 -4.8076 -2.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6223 -6.3516 -1.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 -6.9276 -1.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1564 -7.4048 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1748 -8.5292 0.2463 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2589 -8.9577 1.6278 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4984 -8.0433 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 -7.6194 -1.3416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -8.0523 0.6945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0273 -2.5001 1.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 -2.8427 2.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 -3.6653 3.5009 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2949 -2.4286 2.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 -1.5104 1.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 -0.2483 1.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4409 0.7633 0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6663 1.5258 0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8861 0.7543 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1339 1.6407 1.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4853 2.4718 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6830 3.3169 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0562 2.9188 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7569 1.9311 1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5229 0.5093 0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4703 -0.3705 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8666 0.0097 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3518 -0.2958 -0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7798 0.0646 -1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0045 1.5270 -1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4531 1.9133 -1.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6090 3.3978 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0438 3.8303 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9498 3.1159 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9754 2.8857 2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3233 3.5730 3.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2054 3.9982 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9860 2.2064 2.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6511 1.1260 3.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6733 1.2186 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8867 2.4201 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 0.7420 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3360 -0.4152 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0993 0.5191 -1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1406 -1.0893 -0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7307 -1.2981 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4192 -0.3757 -2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8558 0.6696 -3.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0625 1.1535 -2.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7387 3.1021 -3.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0031 3.9007 -2.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 2.9486 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8947 1.2459 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4561 1.8419 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0435 3.4414 -3.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7116 3.4357 -3.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7854 3.6725 -1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4966 0.9795 -3.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0199 0.2492 -1.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6835 2.9897 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3409 1.4681 0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3715 2.9047 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2791 3.0148 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 1.4848 -0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 0.5984 -1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -2.3162 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2504 -1.5050 2.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -3.7130 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -4.1383 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 -3.0629 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 -5.7884 -1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -6.6349 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 -7.7498 0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -9.3629 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9388 -8.3751 2.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4499 -9.9799 1.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5055 -7.8032 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -1.9456 3.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 -3.2806 2.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -1.5190 1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 -2.1232 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 0.1854 2.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -0.4331 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6157 0.2067 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 1.4891 0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3971 2.1381 1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8145 2.3769 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7853 0.2620 2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -0.0123 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8834 1.0204 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7311 2.3422 2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6474 1.7980 -0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5947 3.0915 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5390 4.0389 1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5677 4.1313 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6730 3.9115 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3367 2.6622 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3576 2.1093 2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8329 2.2017 1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5322 0.0905 1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1233 -1.4145 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4638 -0.7424 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1921 0.9692 0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2677 -1.4094 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6962 0.1653 -1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4088 -0.4890 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1554 -0.2995 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3596 2.0983 -1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7548 1.8725 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6470 1.6845 -2.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1076 1.2944 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9621 3.9570 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3639 3.7172 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3291 3.5548 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1234 4.9256 -1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7530 2.5661 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4141 2.4640 0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4644 3.8865 0.2564 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 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 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 35 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 14 12 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 24 93 1 0 24 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 30 98 1 0 32 99 1 0 32100 1 0 33101 1 6 34102 1 0 34103 1 0 37104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 60141 1 0 60142 1 0 61143 1 0 61144 1 0 61145 1 0 M END