HMDB0288187 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(19S)/22:4(7Z,10Z,13Z,16Z)) 145144 0 0 0 0 0 0 0 0999 V2000 -3.0245 4.1126 8.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9853 2.9947 8.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 3.3769 7.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2307 2.2897 7.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3451 2.8055 6.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4594 1.9077 6.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 1.3944 5.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1617 1.6947 3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 2.4343 3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 2.0722 1.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1962 0.8021 1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 1.2257 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3078 0.8270 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 -0.1053 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 0.4168 0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9622 -0.0785 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -1.2080 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -0.7877 -1.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 -1.6470 -3.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1616 -3.0622 -3.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 -4.0020 -2.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8699 -3.9408 -3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 -3.0443 -2.8088 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 -4.8836 -4.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 -4.7292 -4.6372 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8013 -4.7290 -6.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 -3.8154 -6.6864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 -2.4289 -6.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6665 -2.0181 -5.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -1.6240 -7.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5267 -0.3108 -6.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 0.9020 -6.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 0.9210 -5.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 1.6848 -4.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5467 2.6194 -4.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 3.9764 -4.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 4.7575 -3.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 4.3168 -1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6099 4.2772 -0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 4.9163 0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 5.8274 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8357 5.2669 1.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 4.9659 2.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 5.1061 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 3.8335 1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1216 4.2151 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 5.2070 0.6904 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1618 5.5103 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6858 4.7831 1.8374 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6649 -5.8560 -4.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 -5.6780 -2.6963 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -6.8215 -1.9089 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1275 -6.3129 -1.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 -8.3251 -2.6931 O 0 0 0 0 0 1 0 0 0 0 0 0 2.2316 -6.9980 -0.2886 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 -8.3136 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -8.5355 1.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3928 -8.2660 2.3580 N 0 0 0 0 0 4 0 0 0 0 0 0 3.7199 -8.6982 1.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 -6.8454 2.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0781 -8.9343 3.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 3.8476 9.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 5.0579 8.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6022 4.1585 7.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6571 2.7962 9.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 2.1154 7.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3556 4.2945 7.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 3.6137 6.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6479 2.1226 8.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2267 1.3711 7.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7503 3.6986 7.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 3.2843 5.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0092 1.6502 7.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 0.7253 5.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 0.6951 3.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2668 2.3350 4.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 3.3963 3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2674 2.7687 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 0.0923 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 0.4385 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 1.9288 -0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 1.2347 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -1.1296 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 -0.3138 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 1.2719 1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9225 0.2994 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -1.7488 -0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 -1.9485 -0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 0.2444 -2.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8087 -0.5236 -1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7285 -1.5326 -3.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 -1.0749 -3.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1449 -3.2298 -2.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3241 -3.4091 -4.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5879 -5.0379 -2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 -3.8575 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2674 -3.8083 -4.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -5.7902 -6.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 -4.5269 -6.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0444 -2.2676 -7.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 -1.5309 -8.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 -0.3511 -5.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3872 0.0130 -7.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4017 1.7661 -6.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1998 0.9759 -7.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 0.2990 -6.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.6397 -4.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 2.7463 -5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 2.2958 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 4.3108 -5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 5.7261 -3.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 5.0934 -1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 3.3452 -2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5001 3.6365 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5593 4.8200 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 5.8525 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 6.8453 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 5.0916 2.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 4.5458 3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9923 5.7264 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 5.6291 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3462 3.1196 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4018 3.3238 1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7141 3.3207 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7284 4.6796 -0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5164 6.1732 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5847 4.6102 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8510 6.2836 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9821 5.9930 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1861 4.1328 2.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 -6.8435 -4.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6495 -5.8389 -4.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9487 -8.4844 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 -9.0456 -0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4696 -7.9532 1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0981 -9.6058 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8316 -9.7614 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -8.4393 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4386 -8.1526 2.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7606 -6.6365 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8706 -6.2562 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3777 -6.4711 2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -8.2648 4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -9.9406 3.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 -8.9886 4.1870 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 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 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 1 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 1 48127 1 0 48128 1 0 48129 1 0 49130 1 0 50131 1 0 50132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 61143 1 0 61144 1 0 61145 1 0 M CHG 2 54 -1 58 1 M END