HMDB0298266 RDKit 3D DG(a-25:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0) 142141 0 0 0 0 0 0 0 0999 V2000 -0.5113 1.4370 -2.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4772 0.3280 -2.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -0.8953 -1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 -1.4199 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7755 -0.9228 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0617 -0.6236 1.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 -1.7884 2.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 0.4455 1.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6448 1.5648 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6627 2.6058 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 3.7221 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 4.8647 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 4.9669 -1.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1538 4.9380 -2.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 4.8212 -2.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0639 3.5555 -2.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8282 2.7202 -2.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3744 2.8909 -0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9896 1.9200 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4777 2.1621 1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2087 3.5224 1.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0329 3.7811 3.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6727 5.1732 3.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3297 6.1876 3.1187 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5456 5.3524 4.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0321 6.5541 4.6906 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7987 6.5952 6.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 7.8425 6.5462 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 6.7896 3.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8675 5.7057 4.1671 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 5.6510 3.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2449 6.5895 2.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 4.4945 3.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5531 4.6278 2.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 3.4323 3.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6866 3.5288 2.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5794 2.3204 2.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7927 2.4402 1.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7269 1.2500 1.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0338 -0.0301 1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8879 -1.2542 1.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0998 -2.5067 1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -2.4261 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7073 -3.6900 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0694 -3.6179 -1.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -4.8595 -2.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 -4.8458 -3.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 -6.1529 -3.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 -6.2534 -4.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0943 -5.2363 -5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 -4.9874 -4.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -5.9340 -3.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -7.1764 -3.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 -8.2949 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -7.0102 -1.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 -6.2406 -1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 1.4881 -3.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 2.3876 -2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 1.3092 -1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2356 0.7003 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 0.0753 -3.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8927 -1.3794 -2.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 -2.3324 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 -0.0313 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -1.7126 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6426 -0.3236 2.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2119 -2.5882 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0622 0.2946 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 1.7218 0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 2.3986 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 3.8589 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 4.7016 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8897 5.7770 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 5.0788 -2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 5.0115 -3.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0692 5.6939 -2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8213 4.9824 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 3.3240 -3.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0765 1.7812 -2.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5187 2.6968 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4005 3.9505 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1392 0.8322 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 1.3406 1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3944 4.2898 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1485 3.5507 2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 3.1033 3.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0982 3.6337 2.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 7.4172 4.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 5.8385 6.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6889 6.3541 6.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9116 8.2380 7.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2872 7.7645 4.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9632 6.8258 2.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5227 4.4879 4.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2334 3.5676 3.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1139 5.5208 3.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3264 4.7775 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 3.4769 4.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 2.4777 3.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4622 3.7125 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2508 4.4194 2.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9065 2.3301 3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 1.4295 2.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3486 3.3403 2.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5263 2.5847 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0908 1.2604 2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6295 1.3806 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 0.0984 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1718 -0.1604 2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7871 -1.1553 0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2408 -1.3687 2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7878 -3.3822 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 -2.6962 1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2439 -2.2324 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7404 -1.5915 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3036 -4.5998 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -3.7105 0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 -2.7122 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8865 -3.5095 -2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0283 -5.7103 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 -5.1180 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3765 -4.7925 -4.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9468 -3.9633 -3.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -6.9377 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 -6.4246 -2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8335 -7.2407 -5.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9731 -5.9847 -5.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3451 -5.4802 -6.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 -4.2712 -5.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 -4.0912 -4.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 -4.4050 -3.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 -5.3619 -3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5622 -6.2279 -4.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0101 -7.6281 -3.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1828 -8.3690 -4.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5286 -9.2908 -3.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0669 -8.3183 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 -8.0438 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 -6.6128 -1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 -5.1410 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7683 -6.5814 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9372 -6.5874 -0.0303 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 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 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 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 1 27 89 1 0 27 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 54135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 56142 1 0 M END