HMDB0286492 RDKit 3D PC(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/18:1(9Z)) 141140 0 0 0 0 0 0 0 0999 V2000 3.3350 -2.2787 -6.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 -1.8788 -5.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7747 -3.0655 -4.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4166 -3.6590 -3.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -3.2423 -3.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5407 -2.9708 -1.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -1.8018 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -0.6018 -1.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 0.4824 -1.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 1.5978 -1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7884 2.0042 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1307 3.2893 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2444 4.4351 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 4.4611 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 5.1060 1.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 5.7302 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 5.9209 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 6.5479 -0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 7.0850 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 7.8313 1.0496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6119 5.9679 0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 6.3437 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3545 5.1175 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 4.3802 2.5465 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 4.8702 0.8335 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3667 3.9057 0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 2.5602 0.4047 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8812 1.6689 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 0.6829 -0.9266 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -0.3984 -1.8309 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7631 -1.7988 -1.3348 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6891 -0.0722 -1.7883 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5319 -0.3512 -3.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -1.0495 -4.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1031 -1.0635 -5.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0254 0.2091 -6.3274 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.2269 1.3148 -5.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 0.3717 -6.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9255 0.2636 -7.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0794 1.8742 1.3414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 1.4765 1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 1.8057 0.0987 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 0.7341 2.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.2560 3.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2937 1.3452 4.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 0.9894 5.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1786 0.1588 5.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 -1.2369 5.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 -2.2759 5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -2.2705 5.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -3.3104 5.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 -4.5401 4.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -4.8818 3.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4766 -6.2039 3.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 -6.5812 1.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7855 -5.5813 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -5.3152 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1609 -6.4143 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1402 -7.6580 1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3809 -2.5082 -7.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 -1.5064 -7.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7465 -3.2222 -6.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1578 -1.4174 -4.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 -1.1333 -5.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 -3.4603 -4.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 -4.5472 -3.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 -4.1879 -3.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 -2.4400 -3.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1796 -3.7897 -0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5603 -1.6693 -0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2099 -0.3555 -1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.7861 -2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 0.3143 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 2.3598 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 2.1119 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 1.3413 -0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 3.2419 -2.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5273 5.2935 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 3.5133 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0158 5.0723 1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8928 5.0776 2.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1422 6.1277 1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 5.5623 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 6.6602 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9437 7.8098 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2393 8.0423 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1369 5.5654 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 5.0861 0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 7.1153 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2116 6.7567 2.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0231 3.8296 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0423 4.1933 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 2.7421 -0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 1.2537 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 2.2950 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4526 -0.6528 -4.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4023 -2.1236 -3.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9181 -1.6671 -6.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 -1.6770 -5.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3273 1.4821 -4.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0902 1.1548 -4.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 2.2353 -6.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 -0.4210 -7.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 0.3810 -6.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 1.3693 -7.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -0.6155 -8.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6712 1.1667 -8.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9657 0.3847 -7.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9443 1.3251 2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -0.1329 1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4816 -0.4267 3.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 -0.2773 4.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 2.0092 4.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 2.0686 3.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 2.0273 5.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 0.7526 6.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9904 0.7238 4.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6436 0.2483 6.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2576 -1.4708 4.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 -1.5246 5.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 -3.2486 5.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7397 -2.0800 6.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 -1.4220 6.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6963 -3.2184 5.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3914 -5.3736 5.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -4.7746 5.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 -5.0849 3.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 -4.1294 2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5461 -6.0039 3.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 -7.0135 3.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 -6.6235 1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6232 -7.5920 1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 -5.8937 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 -4.6438 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4386 -4.4136 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -4.9319 1.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 -6.0196 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9408 -6.6906 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6186 -8.5054 0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 -8.0550 1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8349 -7.5930 2.1512 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 2 0 51 52 1 0 52 53 1 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 6 28 94 1 0 28 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 37100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 39108 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 51124 1 0 52125 1 0 52126 1 0 53127 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 59141 1 0 M CHG 2 32 -1 36 1 M END