HMDB0299172 RDKit 3D DG(i-16:0/20:4(5Z,8Z,11Z,13E)-OH(15S)/0:0) 113112 0 0 0 0 0 0 0 0999 V2000 15.7684 -1.3229 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7203 -0.5985 0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3585 -0.6393 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9442 -2.0579 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6734 -2.3309 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4254 -1.7612 -0.7964 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3360 -2.1465 -1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4851 -0.2570 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8388 0.4692 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9568 1.9152 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3767 2.7411 0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4853 2.2457 2.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 2.8189 1.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0922 2.1227 1.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0522 0.6549 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1778 0.1072 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 -0.5845 2.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4105 -1.0311 1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 -0.7608 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 0.6117 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0187 1.0535 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 1.5906 0.7459 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 0.8975 -1.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 1.3340 -1.0327 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7131 2.4393 -1.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0136 2.8491 -1.7081 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 0.1733 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 0.6123 -0.8049 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9288 1.2231 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 1.4184 1.2781 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3191 1.6657 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1191 1.3205 -0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5458 1.7960 -0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 1.4827 -1.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4930 0.0188 -1.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 -0.6827 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2548 -2.1692 -1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8743 -2.8713 0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2298 -2.3342 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2081 -2.4802 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5674 -1.9287 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4950 -0.4628 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8899 0.0066 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8933 1.4797 0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2954 -0.7549 1.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7933 -2.3782 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7506 -0.7979 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5873 -1.1733 -1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9932 0.4968 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5930 -0.9279 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4475 -0.0659 -1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6735 -0.1625 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7582 -2.5579 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9555 -2.5636 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7381 -2.0860 -2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5493 -3.4586 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2276 -2.1406 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5637 -3.0571 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0904 0.2745 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2238 -0.0440 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 2.3415 -0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4984 3.8172 0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5066 1.2016 2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8692 2.8159 2.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0656 3.9221 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1289 2.6373 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0888 0.2419 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8716 0.3083 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 0.3477 3.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -0.8819 3.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 -0.7545 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 -2.2066 1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5931 -1.1766 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 -1.3939 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0673 1.4134 -0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 0.5586 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2868 1.7854 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 3.3263 -1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 2.0290 -3.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0548 3.6886 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 -0.5598 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 -0.3115 -2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 2.7903 0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7715 1.2406 1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0897 0.2514 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 1.8408 -1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4815 2.9211 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9464 1.4308 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0554 2.0572 -2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4365 1.8140 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1414 -0.0949 -2.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4890 -0.3913 -2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4609 -0.4872 0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1080 -0.2547 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8372 -2.3442 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2474 -2.5918 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2193 -2.7938 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9792 -3.9286 -0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1290 -1.3053 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6311 -2.9383 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8409 -1.9605 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3357 -3.5417 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0214 -2.4858 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2124 -2.0090 -1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8779 -0.2795 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1293 0.1032 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6292 -0.2058 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2466 2.0680 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8841 1.7752 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5799 1.7054 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3871 -0.9671 2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9288 -0.0961 2.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7814 -1.7032 1.4151 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 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 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 24 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 43 44 1 0 43 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 1 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 1 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 M END