HMDB0287919 RDKit 3D PC(22:1(13Z)/18:2(9Z,11E)+=O(13)) 147146 0 0 0 0 0 0 0 0999 V2000 5.0535 -4.9117 -3.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 -3.4053 -3.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -2.7260 -2.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8775 -1.2213 -2.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5214 -0.7001 -2.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 0.8129 -2.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2407 1.4414 -2.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 1.2288 -0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7612 1.8331 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 2.7848 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 3.4462 1.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 3.3553 2.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4879 1.9677 3.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 2.0230 4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 2.7247 4.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8694 2.8077 6.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1994 3.4806 6.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 2.7178 5.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 1.3301 6.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 0.5005 5.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1627 0.2817 3.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8781 -0.4116 3.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 -0.7554 4.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 -0.7074 2.3215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -1.3588 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9694 -1.6270 0.6568 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4322 -2.2110 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4593 -3.3929 1.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -4.1530 1.3416 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1002 -5.0490 2.5535 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -5.1207 -0.0297 O 0 0 0 0 0 1 0 0 0 0 0 0 3.2344 -3.0355 1.3508 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 -2.5919 2.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 -1.6030 2.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 -2.0403 2.4431 N 0 0 0 0 0 4 0 0 0 0 0 0 6.4382 -1.0863 1.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7192 -2.0976 3.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8653 -3.3500 1.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9847 -0.4206 -0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8384 -0.3004 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5534 -1.2981 -1.4403 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 0.8737 -2.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 1.0617 -3.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7861 -0.0480 -4.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 -0.2690 -4.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 -1.3846 -5.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4637 -2.7016 -5.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6025 -3.3039 -4.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 -3.5488 -5.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9217 -3.0678 -5.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3076 -2.1632 -4.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5451 -1.6886 -4.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9157 -0.7923 -3.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -0.4790 -2.2786 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2600 -0.2328 -2.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3774 1.2339 -2.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6610 1.7985 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8659 3.3145 -1.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1428 3.8882 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0918 -5.2634 -3.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6122 -5.3605 -4.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -5.1985 -2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1664 -3.0545 -4.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 -3.1115 -3.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8319 -3.0955 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9730 -3.0222 -2.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6622 -0.7877 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1157 -0.9460 -3.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7606 -1.1049 -2.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -0.8914 -1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 1.1848 -1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 1.0248 -3.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 1.0944 -2.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3671 2.5481 -2.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6954 0.1251 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8174 1.7365 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 1.4432 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 3.1411 1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4987 3.1571 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 4.5571 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 3.8476 2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3133 3.9821 3.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 1.4473 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7572 1.3928 2.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6744 2.5531 5.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.0143 5.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 3.7502 4.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 2.1065 4.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 1.8378 6.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1635 3.5043 6.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 4.5285 5.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5488 3.5872 7.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9924 2.7223 4.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1866 3.3105 5.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7867 1.4281 7.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4327 0.8362 6.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4961 -0.4607 5.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3976 1.0415 5.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 1.2926 3.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0145 -0.2428 3.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -2.3041 2.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4398 -0.7139 2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6666 -2.3752 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1074 -1.4928 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -2.2717 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -2.0881 2.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5564 -3.4520 3.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 -1.3449 3.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2237 -0.6422 2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5495 -1.0392 1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2855 -1.3690 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 -0.0495 1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1924 -2.5787 4.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 -2.6682 3.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0693 -1.0690 3.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3232 -4.0953 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9503 -3.6610 1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 -3.2918 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9624 0.8866 -2.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 1.7719 -1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 1.9993 -3.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1249 1.3056 -2.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0141 0.1930 -4.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 -0.9899 -3.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 0.6385 -5.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8757 -0.4535 -4.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -1.0393 -6.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7366 -1.4854 -6.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5091 -2.7315 -4.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2825 -3.4036 -6.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 -4.3249 -4.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8014 -2.6953 -3.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5343 -4.2236 -6.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6974 -3.3340 -6.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5769 -1.9020 -3.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2323 -2.0040 -4.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9389 -0.6212 -3.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6792 -0.7070 -2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4749 1.4645 -2.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1366 1.7896 -3.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 1.6472 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0467 1.3261 -0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5777 3.8203 -2.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9545 3.4612 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2356 3.1882 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6247 4.8588 -0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0491 4.0486 -0.5890 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 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 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 2 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 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 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 36110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 38118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 50134 1 0 51135 1 0 52136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 59147 1 0 M CHG 2 31 -1 35 1 M END