HMDB0288885 RDKit 3D PC(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/2:0) 95 94 0 0 0 0 0 0 0 0999 V2000 15.2579 0.5973 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0873 0.2481 1.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8591 0.6138 1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8841 -0.2046 0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9371 -1.6383 1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7482 -1.9632 1.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7740 -3.3336 2.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4696 -1.6391 1.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 -0.6669 1.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4073 -0.4192 0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6050 0.5614 1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3354 0.7486 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 0.6422 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 -0.2678 1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2252 -1.2734 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 -1.4213 -1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 -0.6989 -1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 0.5348 -0.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0806 1.6240 -1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 2.3596 -2.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2819 2.2280 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0598 1.8702 -3.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 1.6984 -2.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2372 1.3768 -3.8382 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 1.8852 -1.6277 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3718 1.7036 -1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 0.2877 -1.6693 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3021 0.1496 -1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9267 0.9873 -2.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5895 0.9986 -2.2646 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.0356 2.3400 -2.8657 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2014 -0.1930 -3.3231 O 0 0 0 0 0 1 0 0 0 0 0 0 -10.2765 0.8910 -0.7529 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7067 -0.3735 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3701 -0.5116 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6107 -0.1614 2.0469 N 0 0 0 0 0 4 0 0 0 0 0 0 -11.0412 -0.8831 3.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8586 1.2616 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1853 -0.3007 1.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -0.5464 -0.7887 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -1.5871 -1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4707 -2.4745 -0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2566 -1.7247 -2.5329 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3929 -0.1756 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1941 0.7224 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0242 1.5599 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2200 -0.7957 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2730 0.9333 2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7376 1.6633 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9868 0.1881 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8261 -2.0040 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8050 -2.2415 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8020 -1.3980 2.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8348 -3.5180 2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1745 -2.2713 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 -0.0236 2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1095 -1.0555 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8666 1.1983 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 1.8508 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 0.2000 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0062 1.3822 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -0.2349 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 -1.3645 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1952 -2.3423 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5317 -2.3387 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -0.9958 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 0.4426 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 0.8125 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 1.8299 -2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 3.1516 -3.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 3.2904 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 1.5419 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 0.9663 -3.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 2.6852 -3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9215 2.4186 -2.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5573 1.9055 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6225 -0.0492 -2.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5235 0.3889 -0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6128 -0.8967 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4499 -0.6660 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8703 -1.1168 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3606 0.0104 0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6350 -1.6030 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1060 -0.5822 3.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4478 -0.5529 4.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9796 -1.9687 3.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5535 1.8679 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3400 1.6047 3.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9369 1.4343 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7821 -0.5425 2.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8548 -1.1315 1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7046 0.6766 1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 -3.4963 -0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8798 -2.5315 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 -2.1546 -0.3362 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 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 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 1 0 41 43 2 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 20 70 1 0 21 71 1 0 21 72 1 0 22 73 1 0 22 74 1 0 26 75 1 0 26 76 1 0 27 77 1 6 28 78 1 0 28 79 1 0 34 80 1 0 34 81 1 0 35 82 1 0 35 83 1 0 37 84 1 0 37 85 1 0 37 86 1 0 38 87 1 0 38 88 1 0 38 89 1 0 39 90 1 0 39 91 1 0 39 92 1 0 42 93 1 0 42 94 1 0 42 95 1 0 M CHG 2 32 -1 36 1 M END