HMDB0298518 RDKit 3D DG(20:3(5Z,11Z,14Z)-O(8,9)/i-13:0/0:0) 104104 0 0 0 0 0 0 0 0999 V2000 11.1899 2.1000 -2.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5907 1.1600 -1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7349 1.8812 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 0.9447 0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1220 -0.1462 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8315 0.3891 1.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 0.1389 1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5706 -0.7210 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6517 -1.8166 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5351 -2.0713 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0364 -1.2894 -1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -0.6984 -1.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 0.0832 -1.9892 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 0.8161 -1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 1.3934 0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4262 0.9347 1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 0.2134 2.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -0.2329 2.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 0.3557 3.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 -0.0662 3.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4009 0.3993 2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 1.5714 2.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 -0.4509 1.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1262 -0.2829 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6024 -0.0939 -0.2446 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1029 1.2635 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3841 1.4299 -0.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 -1.1652 0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0903 -2.0773 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1826 -1.9499 -1.6418 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8043 -3.1866 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8228 -3.8961 -0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1315 -3.3457 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4835 -2.1226 -1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2263 -0.7927 -0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8534 -0.5452 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3186 -0.6355 0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0923 0.3063 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8108 1.7578 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6386 2.6296 -1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1175 2.3807 -0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2036 2.3642 -2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5121 2.8565 -2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6493 1.5035 -3.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0988 2.5001 -3.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6119 0.7483 -1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9199 0.2972 -1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5229 2.6760 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8186 2.4733 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0881 0.4312 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3149 1.5695 1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5576 -0.6470 2.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1283 -0.9424 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8448 1.0554 2.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7645 0.5903 1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -1.2296 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2344 -0.1078 -0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -2.4565 1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 -2.9388 0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7066 -0.5458 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8365 -2.0138 -2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0994 -1.2822 -0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5592 1.3754 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 2.5198 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7788 1.1578 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4709 1.2172 1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3759 -0.1039 3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.0021 1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 -1.3541 2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1791 0.0991 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 1.4764 3.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3027 0.3077 4.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2231 -1.1798 3.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 -1.1215 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6686 0.6286 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8268 -0.1980 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2395 1.4379 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 2.0249 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5323 2.3796 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 -3.9307 0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2836 -2.7480 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9372 -4.9396 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3665 -4.2872 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6484 -4.1988 -1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7181 -3.4136 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8933 -2.1219 -2.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5504 -2.1767 -1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6862 -0.0541 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1984 -0.5064 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4221 -1.3018 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5011 0.4383 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6953 -1.6656 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6062 -0.4439 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1752 0.1458 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9360 0.0996 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0249 2.0587 0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7393 1.9317 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4250 3.6807 -0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4737 1.5127 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6536 3.2752 -1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3126 2.3032 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1370 2.1026 -2.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3635 3.2693 -3.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7863 1.5226 -2.8490 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 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 14 12 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 6 26 77 1 0 26 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END