HMDB0288225 RDKit 3D PC(20:4(6E,8Z,11Z,14Z)+=O(5)/22:4(7Z,10Z,13Z,16Z)) 143142 0 0 0 0 0 0 0 0999 V2000 -4.3078 4.4322 5.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 4.0375 6.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 2.8280 7.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 2.5658 8.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3774 1.3329 8.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1144 1.1055 9.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 0.0416 9.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 -1.0498 8.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0184 -1.3939 7.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -0.7963 6.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6554 0.4232 7.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 0.1025 7.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 0.8071 6.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4031 1.8423 5.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 2.7252 4.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7095 3.2898 4.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8936 2.8489 4.0325 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 4.4744 3.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 4.2278 1.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3818 3.7065 2.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5795 3.5172 0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3639 3.9445 1.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 2.9452 -0.2307 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 2.8858 -1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3037 2.1974 -2.4525 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7689 0.7689 -1.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 0.3507 -1.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9909 -1.1608 -0.4810 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3811 -2.1735 -1.5149 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -0.9498 0.6279 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.3456 -1.6482 0.4504 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -2.7599 1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1386 -3.2535 2.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 -3.6539 1.2635 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1207 -2.5348 0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0699 -4.5229 2.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 -4.4220 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3193 2.7191 -3.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2326 2.6968 -4.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 2.1695 -5.0995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 3.1981 -5.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0398 2.2227 -6.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9835 1.4169 -5.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 0.4984 -4.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5815 -0.6107 -4.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -1.5410 -5.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 -1.8381 -7.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4532 -1.2487 -7.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 -2.4125 -7.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3648 -2.5639 -7.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 -1.4504 -6.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5024 -1.0785 -7.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 -1.1459 -6.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -1.5259 -5.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5012 -1.9030 -4.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -1.2067 -3.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 -0.0419 -3.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6585 1.2529 -2.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6824 2.3686 -2.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9634 3.6514 -2.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 4.0483 -3.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2561 5.5237 5.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2912 4.2440 5.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2604 3.9314 4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7976 4.9011 6.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3088 3.7729 5.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 3.1588 7.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8091 1.9757 6.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 3.4290 8.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 2.4071 7.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8485 0.5120 8.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1179 1.6976 9.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 1.9181 10.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 0.0214 10.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6095 -1.9964 9.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8571 -1.1185 8.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3817 -2.3304 6.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3399 -1.2351 5.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 0.6699 8.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3025 1.3100 6.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -0.6862 7.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 0.5068 6.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 1.9531 5.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 3.3822 4.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8416 5.1992 3.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4486 4.9199 2.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3043 3.5677 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6283 5.1985 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4464 2.6759 2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 4.3830 2.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 2.3075 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4626 3.9044 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 1.9071 -3.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8347 0.1117 -2.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6838 0.9373 -1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -2.5755 1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 -3.6253 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7878 -4.1890 2.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -2.5449 2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 -2.5118 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0885 -2.6121 1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6363 -1.5800 1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1213 -4.5880 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0217 -4.0404 3.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5822 -5.5095 2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7471 -4.9472 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 -5.1413 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5191 -3.7311 -0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 3.8421 -6.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 3.9900 -5.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6666 2.8443 -7.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 1.6190 -7.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6729 2.1625 -5.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 0.8820 -6.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1071 0.9781 -3.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4348 -0.0607 -4.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3922 -1.2060 -3.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6155 -0.1711 -5.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1152 -2.0445 -5.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.5768 -7.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0515 -0.4197 -7.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7592 -0.9682 -8.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9782 -3.2531 -8.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 -3.4737 -7.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4758 -1.8854 -5.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 -0.5934 -6.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3338 -0.7239 -8.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4856 -0.8303 -7.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 -2.4277 -5.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0294 -0.7304 -5.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -2.8033 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 -1.5574 -2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1469 0.2392 -3.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -0.2173 -2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 1.1585 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9795 1.5536 -3.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3404 2.1679 -1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3362 2.4582 -3.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3899 3.6606 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 4.4887 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 3.6110 -4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 5.1506 -3.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 3.7200 -3.2078 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 2 0 15 16 1 0 16 17 2 0 16 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 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 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 15 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 0 24 92 1 0 25 93 1 6 26 94 1 0 26 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 35100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 37108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 60139 1 0 60140 1 0 61141 1 0 61142 1 0 61143 1 0 M CHG 2 30 -1 34 1 M END