HMDB0286312 RDKit 3D PC(20:3(5Z,11Z,14Z)-O(8,9)/18:1(11Z)) 139139 0 0 0 0 0 0 0 0999 V2000 1.2003 1.0754 -5.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2013 1.1326 -6.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 1.4993 -6.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 0.4788 -5.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 0.7783 -4.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5935 2.0551 -4.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9925 2.1872 -2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3474 1.0640 -1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5521 1.1229 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 0.1810 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -1.0551 -1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 -1.1702 -1.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3473 -0.1726 -2.0586 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 -0.2363 -0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5784 -0.7423 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 -1.1154 -1.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1614 -0.6115 -2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 0.3874 -1.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 1.6423 -2.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9397 2.6967 -1.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6102 3.2705 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 4.1128 0.2117 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5029 3.0237 0.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 3.6778 1.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0481 3.1689 2.2201 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0561 3.6139 1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6986 3.2089 -0.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 3.7920 -1.2789 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1751 3.2388 -1.0868 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 5.4943 -1.0774 O 0 0 0 0 0 1 0 0 0 0 0 0 1.2208 3.5515 -2.8318 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 4.6733 -3.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 4.2928 -4.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 5.3180 -5.4062 N 0 0 0 0 0 4 0 0 0 0 0 0 0.1249 6.0717 -6.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 4.6189 -6.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 6.2426 -4.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 1.7909 2.3224 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2911 1.0531 3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7923 1.6724 4.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0748 -0.3854 3.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8799 -1.1688 4.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3918 -2.6361 4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 -3.5951 5.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 -4.9723 5.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 -5.7705 3.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5975 -5.3702 2.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -5.3532 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -4.8922 2.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3428 -4.8687 3.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0414 -3.7642 3.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 -2.4221 2.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6429 -1.4237 3.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2572 -0.0524 3.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 0.9841 4.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 1.1337 5.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5387 2.1866 6.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 1.3895 -6.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 1.7521 -4.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0984 0.0572 -5.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 1.8245 -7.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 0.1177 -7.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 1.5766 -7.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4908 2.5055 -5.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 0.4822 -4.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -0.5137 -5.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0787 0.8280 -5.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8924 -0.0971 -4.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3514 2.9797 -4.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0654 3.2352 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4302 1.2799 -1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3036 0.1027 -2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 2.0143 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 0.3300 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0341 -1.2977 -1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6165 -1.8979 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 -2.2272 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 0.5422 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -1.6480 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 0.0154 0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 -1.8748 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 -0.9763 -3.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0379 0.0360 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6031 0.6527 -0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4272 1.4021 -3.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 2.0665 -2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 3.5384 -2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0182 2.3600 -1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 3.2391 2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 4.7648 1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 3.6583 3.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 4.7084 1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 3.1282 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 5.4817 -3.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 4.9038 -2.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4032 3.3099 -4.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 4.1717 -5.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 6.0665 -7.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 7.1582 -6.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1445 5.6499 -6.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2502 3.6397 -6.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 4.3305 -5.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 5.1303 -7.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8828 6.9609 -5.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1221 5.7172 -3.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6449 6.8350 -3.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0178 -0.5803 3.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2488 -0.8866 2.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.8910 5.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -1.0988 4.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6843 -2.7098 4.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 -2.8576 3.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 -3.5283 4.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -3.2148 6.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 -5.6262 5.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 -5.0502 5.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4186 -5.8460 3.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2651 -6.8520 4.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 -6.2534 2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3719 -4.5180 2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 -6.3940 3.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 -4.7182 4.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -3.9196 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -5.6922 1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7536 -5.8237 3.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0473 -3.8658 3.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5250 -2.0692 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7845 -2.3324 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6588 -1.3727 4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 -1.7879 4.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 -0.1056 2.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9672 0.3192 2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 0.6940 5.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 1.9545 4.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3291 1.3728 4.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8564 0.1898 5.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5623 3.1886 5.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4537 2.1171 6.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6717 2.0829 6.8830 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 1 0 13 14 1 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 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 14 12 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 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 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 1 26 92 1 0 26 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 30 -1 34 1 M END