HMDB0298700 RDKit 3D DG(18:3(9,11,15)-OH(13)/0:0/i-13:0) 100 99 0 0 0 0 0 0 0 0999 V2000 15.7580 1.6777 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8543 2.0386 -0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6529 0.7612 -1.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4068 0.2681 -1.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2153 -1.0008 -2.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5788 -1.9983 -1.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4263 -3.1880 -2.4467 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2077 -1.6121 -1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9765 -0.8201 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5943 -0.4996 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3456 0.3072 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0124 0.7162 1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9467 0.0723 0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5598 0.4960 1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5477 -0.2011 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1684 0.2356 0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -0.1080 2.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 0.3381 2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 -0.3458 1.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2246 -1.5132 2.1129 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0898 0.2165 0.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -0.2978 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3683 -0.4599 0.6765 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1950 -1.3490 1.7047 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 0.9496 1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7475 1.0405 2.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0351 0.7328 1.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1984 0.3457 0.4404 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0951 0.8948 2.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4867 0.4944 2.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5238 -0.9353 1.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7609 -1.6112 1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5469 -1.2682 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1382 0.0869 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9714 0.2284 -1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1294 -0.7068 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9485 -0.5362 -2.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4718 0.8762 -2.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3384 1.1122 -1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4372 0.9684 -3.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1560 1.0073 0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1234 2.5615 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5648 1.0535 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2962 2.8047 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9108 2.4279 -0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4950 0.2303 -2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6275 0.8603 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1577 -1.3473 -3.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4452 -0.8100 -3.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2372 -2.2686 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5333 -3.5918 -2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3216 -1.9824 -1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8090 -0.4310 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7527 -0.8890 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2549 0.6726 1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9487 1.8287 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8546 0.5657 2.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0686 -1.0231 0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1277 0.3482 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4381 1.5785 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4763 0.0369 2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7237 0.0276 -0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6573 -1.2979 0.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -0.2856 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 1.3446 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6849 0.3420 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -1.2027 2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 1.4472 2.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 0.1172 3.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -1.2718 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 0.4385 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1504 -0.8255 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 -1.8574 1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7368 1.1887 1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5927 1.6844 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1026 1.9353 3.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8826 0.2579 3.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1897 0.8016 2.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6901 1.1931 1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0797 -1.4993 2.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7986 -1.0891 0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4738 -2.7235 1.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4487 -1.7256 2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3669 -2.0214 0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8632 -1.4762 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7843 0.3612 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3322 0.8485 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3177 1.2964 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3005 0.1179 -2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8052 -0.4858 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8336 -1.7528 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3337 -0.7666 -3.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7997 -1.2566 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7077 1.6410 -2.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2422 1.6949 -1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6668 0.1187 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7200 1.6112 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7276 2.0433 -3.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2736 0.3024 -3.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9371 0.6854 -4.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 38 40 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 7 51 1 0 8 52 1 0 9 53 1 0 10 54 1 0 11 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 22 70 1 0 22 71 1 0 23 72 1 6 24 73 1 0 25 74 1 0 25 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 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 39 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 40100 1 0 M END