HMDB0298543 RDKit 3D DG(i-13:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(17)) 104103 0 0 0 0 0 0 0 0999 V2000 8.1642 -0.7617 3.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9844 -0.9425 1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0648 0.0947 1.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9810 0.0801 0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6081 -1.1531 0.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3304 0.4090 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7470 1.7591 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5527 2.0786 -0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4432 1.3480 -1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4733 -0.0383 -1.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7445 -1.0113 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 -0.8278 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3386 -1.0734 -0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -1.4227 -1.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 -1.6850 -2.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 -0.8852 -3.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9453 0.1255 -3.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 0.8190 -2.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7595 0.6729 -3.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 1.4176 -2.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3048 0.8839 -0.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6517 1.6754 0.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 -0.4711 -0.5128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 -0.9919 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 -0.4578 1.6740 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4933 -0.8510 2.9956 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -1.1039 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -0.6517 1.8766 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4351 0.6745 1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 1.4744 1.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6605 1.0786 2.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5184 1.8404 1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7808 0.8128 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6032 1.3730 -0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8344 0.3356 -1.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5484 -0.8449 -1.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9154 -0.4427 -0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5931 -1.6430 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9411 -1.3769 0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0527 -0.3739 1.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2317 -0.7142 2.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8708 1.0489 1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 0.0480 2.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6681 -1.7230 3.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8666 -0.4362 3.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2781 -0.8343 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3861 -1.9760 1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6133 0.1291 2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5100 1.0914 1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8086 0.8574 0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2849 -1.1803 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5437 -0.3631 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0835 0.3214 -1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4629 2.5675 -0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3272 3.1920 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0291 1.9675 -2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 1.5226 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1864 -0.3303 -2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9533 -2.0335 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9132 0.1002 0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0318 -1.6308 0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6982 -0.9325 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5848 -1.5855 -1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7781 -2.7566 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2866 -1.8963 -2.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 -1.2242 -4.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7296 0.5868 -4.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 0.5823 -1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 1.9521 -2.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5703 1.0535 -4.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -0.4282 -3.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 1.3370 -2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3304 2.4986 -2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4506 -2.0857 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4567 -0.5704 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 0.6293 1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 -0.3535 3.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -0.9258 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 -2.2085 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 0.1862 2.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4119 1.7188 3.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4652 2.1656 2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8784 2.6689 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7692 0.5636 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1865 -0.1117 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5356 1.8298 -0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0394 2.2151 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4107 0.8145 -2.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 0.0113 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0091 -1.3943 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7259 -1.6116 -1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6954 0.3227 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4869 0.0371 -1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6802 -2.4167 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9187 -2.0944 0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3955 -2.3310 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6624 -1.0670 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1369 -0.4562 2.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3172 -1.2548 2.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7902 -1.3287 3.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9577 0.2457 3.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8609 1.2367 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9788 1.5457 1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7367 1.6460 1.6774 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 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 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 40 42 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 5 51 1 0 6 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 9 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 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 1 26 77 1 0 27 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