HMDB0287328 RDKit 3D PC(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:3(5Z,8Z,11Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -8.6077 -1.5113 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9922 -2.1157 1.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5138 -3.4852 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7548 -4.5551 1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2856 -4.6077 1.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7392 -5.2022 2.8819 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3466 -5.2977 2.8447 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2335 -4.4939 4.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9822 -3.1875 4.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4565 -2.4716 5.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2193 -1.2081 5.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4529 -0.4430 4.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2099 0.8807 4.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4286 1.6367 3.8084 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0499 1.6824 2.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 3.0518 4.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 3.8009 3.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1702 4.3026 3.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 4.1293 5.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4021 3.3065 5.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 3.6659 5.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 4.9914 6.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2926 5.5578 5.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 5.7424 3.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 6.8627 3.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 4.6870 3.0989 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 4.7183 1.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 5.3196 0.7409 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7807 4.7424 0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8408 3.4251 -0.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 2.8905 -0.4994 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0205 3.5625 -1.8515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8976 3.3402 0.5647 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.6861 1.2232 -0.7378 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 0.8324 -1.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1133 -0.6344 -1.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7841 -1.4177 -0.1781 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.3226 -1.3618 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 -0.9019 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2256 -2.7692 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8183 5.1514 -0.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 6.1264 -1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 7.3132 -1.2057 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 5.6546 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8415 5.0129 -3.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4862 4.3931 -4.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4738 3.3945 -4.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4759 2.1096 -4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3297 1.5197 -5.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 0.8904 -6.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 -0.3448 -6.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -1.4164 -6.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2869 -1.2514 -5.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4827 -1.8261 -4.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -2.7580 -3.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3878 -2.1730 -2.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -2.9001 -1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6783 -3.3334 -2.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 -4.3483 -3.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 -5.6171 -3.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 -6.6784 -4.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -7.9043 -3.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3354 -0.4243 0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1497 -1.9696 -0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6897 -1.6633 0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9046 -2.0709 1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3670 -1.5066 2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5940 -3.6571 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2575 -5.5276 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7887 -3.6674 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 -5.3743 0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1344 -6.2462 2.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -5.7607 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8192 -4.9945 4.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 -2.6926 3.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0423 -3.0302 6.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6185 -0.7346 6.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0294 -0.8233 3.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6179 1.3002 5.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 1.1885 3.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 1.7660 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 2.9052 5.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1795 3.5074 4.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 3.9494 2.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 4.8615 2.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3444 3.8832 5.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 5.1991 5.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 2.2534 4.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6222 2.9501 5.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4039 4.7843 7.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2651 5.6956 6.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 6.5763 5.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2297 4.9897 5.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 3.5959 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0584 5.0714 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9894 6.4103 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 4.8376 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 5.3542 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 1.1611 -0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 1.3447 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 -0.8260 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 -0.9859 -2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0749 -2.2834 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1237 -0.5329 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1684 -1.1545 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 -0.1082 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5431 -1.6625 1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3873 -0.4264 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 -3.0389 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6241 -3.5111 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 -2.8520 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 6.4735 -3.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 4.8681 -2.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 4.2932 -3.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 5.8610 -3.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0939 5.2664 -5.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 4.1673 -5.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3458 3.7576 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2265 1.4104 -4.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6436 2.2991 -5.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7964 0.9255 -4.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 1.6092 -7.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 -0.6520 -7.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4174 -1.8500 -7.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -2.3486 -6.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 -0.6269 -5.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 -1.6146 -3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1533 -3.0915 -4.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -3.6903 -3.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 -1.2018 -2.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 -1.8733 -1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9053 -2.2910 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 -3.8144 -1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2128 -2.4092 -3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4779 -3.7503 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6473 -4.6760 -3.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0926 -4.0585 -4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6163 -5.9703 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 -5.3961 -2.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 -6.3782 -5.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8397 -6.9723 -4.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4828 -7.9416 -2.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1078 -7.9063 -3.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5693 -8.8463 -4.0083 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 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 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 28 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 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 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 1 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 6 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 1 29 97 1 0 29 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 38103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 40111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 61140 1 0 61141 1 0 62142 1 0 62143 1 0 62144 1 0 M CHG 2 33 -1 37 1 M END