HMDB0298976 RDKit 3D DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/0:0/i-15:0) 110109 0 0 0 0 0 0 0 0999 V2000 15.2390 -2.2996 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1186 -2.2687 -0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8476 -1.8749 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0999 -0.5144 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8449 -0.0872 1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6670 -0.0042 0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 1.0592 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2360 2.3133 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5150 3.3939 0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 3.4018 -0.1678 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6365 2.8158 -1.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1312 2.6928 0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9807 2.6799 -0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 1.6109 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 0.2662 -0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9038 -0.6091 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5701 -1.7426 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5764 -2.6510 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4523 -2.8535 -0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7854 -1.5928 -1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 -0.9713 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -1.4458 1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 0.1876 -0.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2302 0.8937 0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 0.0421 1.3337 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0459 0.7482 2.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 -0.8967 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -0.4257 -0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 0.4871 -1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0997 1.0932 -1.6762 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3922 0.8408 -2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2106 1.7461 -1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5922 1.0987 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3689 -0.1711 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6397 -0.0143 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6653 0.8728 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1364 0.4266 1.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1924 1.3316 1.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4062 1.5290 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3231 0.4517 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8839 -0.6851 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0802 -1.6154 -0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1797 -0.8739 -1.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6190 -2.1916 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0635 -2.9614 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7893 -2.6375 1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6631 -1.3001 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0050 -3.2627 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2758 -1.4472 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6583 -2.6450 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9712 -1.9037 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9216 -0.6432 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2717 0.2597 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6509 -0.9041 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1421 0.7741 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3578 -0.9331 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0669 0.9076 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1140 2.3667 1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8333 4.3231 1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0787 4.4991 -0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 2.4679 -1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3654 1.7445 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8966 3.3645 1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 3.6639 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5545 1.7046 -1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8056 0.2102 -0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -0.2373 -1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -0.3051 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 -2.0909 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3022 -2.2361 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 -3.6398 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 -3.5471 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8217 -3.3564 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4765 -0.8231 -1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0351 -1.7583 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5817 1.8627 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5379 1.0943 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 -0.7077 2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5986 0.1550 2.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -1.7876 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 -1.3838 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9229 -0.0917 -2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1286 1.3652 -2.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0974 2.1607 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5673 2.6288 -0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6737 0.8668 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2197 1.8130 0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 -0.9253 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6253 -0.5608 0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 -1.0364 -0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4694 0.3415 -1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5357 0.9005 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2557 1.9190 -0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3698 -0.6162 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2281 0.5336 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3988 1.1002 2.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6894 2.3553 1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1201 2.0949 -0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0387 2.3313 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7966 -0.0106 1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1840 0.9406 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5514 -0.3374 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1139 -1.3460 0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7571 -2.4434 -1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7437 -0.2854 -0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8657 -1.5816 -1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7953 -0.1993 -2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8958 -3.2702 0.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9152 -2.0396 1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5686 -1.6883 1.0462 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 2 0 9 10 1 0 10 11 1 0 10 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 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 25 27 1 0 27 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 41 42 1 0 42 43 1 0 42 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 10 60 1 6 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 1 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END