HMDB0288903 RDKit 3D PC(20:3(5Z,8Z,11Z)-O(14R,15S)/DiMe(11,3)) 142143 0 0 0 0 0 0 0 0999 V2000 -6.8507 5.3567 -1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6243 6.1872 -1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 6.3019 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 5.1192 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2496 4.0459 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5621 2.8689 1.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 2.1860 1.0279 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8242 1.4927 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4062 0.9963 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5815 1.3527 -1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 0.4933 -1.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 -0.9646 -1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8652 -1.4974 -2.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -2.4083 -3.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1276 -3.0738 -3.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 -2.8621 -4.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 -2.2580 -4.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -1.6946 -3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8762 -2.3976 -3.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 -2.3693 -4.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 -1.0889 -5.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -1.1556 -6.3735 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 0.1690 -4.7064 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5179 1.2527 -5.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 2.5891 -4.7831 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1443 2.7805 -3.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 4.0973 -3.1615 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 4.4279 -1.7975 P 0 0 0 0 0 5 0 0 0 0 0 0 4.8079 5.6763 -1.9766 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9636 3.0613 -1.5153 O 0 0 0 0 0 1 0 0 0 0 0 0 2.9398 4.5530 -0.4687 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5074 3.9944 0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5673 4.1216 1.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 3.5415 3.0322 N 0 0 0 0 0 4 0 0 0 0 0 0 4.5759 3.8500 3.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 4.1000 4.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0303 2.1123 3.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9215 2.8431 -4.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 3.7859 -5.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6033 4.5633 -6.0232 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 3.8647 -4.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 3.1004 -3.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 3.8421 -2.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7288 3.2075 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1399 1.8167 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 1.1343 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -0.2262 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5656 -1.0313 1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 -2.3297 0.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3568 -3.2171 2.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -4.4846 1.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 -5.6883 1.6996 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5811 -6.5352 1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5291 -8.0048 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -8.2913 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7811 -7.6314 -1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7873 -5.8672 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1581 -6.4144 1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.5630 1.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4065 -3.4065 1.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5855 5.9025 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7704 4.3700 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3224 5.2602 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9111 7.2410 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 5.8947 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5201 6.8675 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0482 7.0571 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3971 4.7348 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 5.4126 1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8058 3.5916 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0085 4.4997 1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4102 3.0830 2.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7002 0.7176 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4139 1.5155 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -0.0414 0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4147 2.4239 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4325 0.8816 -2.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8043 -1.2702 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1729 -1.4561 -1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8762 -1.0782 -3.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0385 -2.7318 -4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5651 -2.8714 -2.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 -4.1999 -3.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7925 -3.2418 -5.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -2.1507 -5.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1962 -0.6319 -4.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 -1.6750 -2.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 -3.4737 -3.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3567 -1.9715 -2.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6432 -3.0737 -4.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -2.8740 -5.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0826 1.3063 -6.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6034 1.0770 -5.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6358 3.3428 -5.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 2.6579 -3.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 2.0452 -2.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 4.5549 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 2.9192 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 5.2040 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6096 3.6255 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 3.5680 4.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7767 4.9403 3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1113 3.2368 2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7055 3.4185 5.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 5.1125 4.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 4.0822 4.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0752 1.8185 2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 1.6664 2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 1.8216 4.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6294 4.8996 -4.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9442 3.4008 -5.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 3.1193 -3.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2082 2.0741 -3.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2354 4.8332 -2.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3373 4.0507 -2.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1187 3.8690 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 3.1944 -0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 1.9553 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6366 1.1585 -1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3404 1.7142 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1664 0.8942 0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5594 -0.0422 -0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 -0.7313 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4429 -1.2314 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1893 -0.4857 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7383 -2.8336 0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3304 -2.0963 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 -3.4825 2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8585 -2.6968 3.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 -8.5468 1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 -8.3977 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8268 -7.9214 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 -9.3902 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9776 -6.5596 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7489 -7.8166 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 -8.1085 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8259 -5.9527 2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5306 -6.1376 0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1859 -7.5243 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3145 -3.7612 2.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 -2.9441 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9182 -2.6664 2.6749 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 1 0 7 8 1 0 8 9 1 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 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 34 35 1 0 34 36 1 0 34 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 1 0 53 54 1 0 54 55 1 0 55 56 1 0 53 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 8 6 1 0 59 51 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 0 24 93 1 0 25 94 1 6 26 95 1 0 26 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 35101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 37109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 58137 1 0 58138 1 0 58139 1 0 60140 1 0 60141 1 0 60142 1 0 M CHG 2 30 -1 34 1 M END