HMDB0056250 RDKit 3D DG(20:3n9/0:0/22:6n3) 120119 0 0 0 0 0 0 0 0999 V2000 -13.8205 -4.9301 -1.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1924 -3.4562 -1.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8415 -2.6192 -2.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0439 -1.6117 -2.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2817 -1.0169 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3597 -1.4686 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3793 -1.9864 0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0166 -2.1849 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0127 -1.4334 0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2493 -0.5183 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2374 -0.0962 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5705 1.2604 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9836 2.2704 -0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2396 2.3283 0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5034 3.1900 1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5104 3.9878 1.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7768 4.3052 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3544 4.1103 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4599 3.5873 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7824 3.0078 2.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2074 1.5515 2.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6969 1.6849 1.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0744 0.7241 1.4141 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0446 2.7685 2.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 3.3368 2.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0998 2.7584 3.3182 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2609 3.6105 3.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 1.3750 3.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 1.1891 2.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 1.1933 0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6146 1.4211 0.2371 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9883 0.9279 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 0.8333 -1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 0.6169 -1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9724 1.8235 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 1.8394 -0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6288 0.6796 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0426 0.5920 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5095 -0.4699 -1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8150 -1.6775 -1.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.9628 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9684 -3.2926 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8549 -2.4085 0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2840 -2.8914 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5831 -2.8025 -1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9671 -3.2893 -1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0185 -2.5163 -0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9613 -1.0585 -1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0696 -0.2995 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9399 -0.4290 1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7716 -5.0445 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5015 -5.3839 -2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9893 -5.4397 -0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3373 -3.5044 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9227 -3.2093 -0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3449 -2.9082 -3.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9274 -1.1068 -3.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2097 -0.7775 -1.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6581 0.1024 -1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3012 -1.3478 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5228 -2.3120 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9957 -1.9556 -0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7179 -3.2795 0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8512 -1.6023 1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4828 0.0103 0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1305 -0.2506 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7425 -0.8084 -1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4385 1.4441 -2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1961 3.1938 -1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3756 1.3310 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3864 2.6883 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9175 3.1186 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2112 4.5533 2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2333 3.9123 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 5.4463 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9515 4.5067 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 3.5538 0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1626 3.4337 2.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8027 2.8162 2.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3623 1.1064 3.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6678 1.0022 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 3.5670 1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 4.4383 2.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 2.9140 4.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 4.1834 2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1037 1.1147 4.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 0.6597 3.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3419 -0.0489 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6463 1.7434 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -0.0290 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4312 1.7561 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0185 0.6586 -2.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6498 -0.3430 -1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5699 2.7748 -1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4821 2.8303 -0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6989 0.8482 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1425 -0.2739 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7328 1.4281 -0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5952 -0.3412 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0255 -1.7890 -2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6959 -1.5803 -1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 -3.8728 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0709 -4.3815 0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6205 -2.5653 1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8489 -1.3587 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3391 -3.9274 0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9293 -2.2526 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8397 -3.3977 -1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 -1.7272 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0746 -3.1616 -2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0225 -4.3611 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9146 -2.6860 0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0126 -2.9084 -1.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0007 -0.6021 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0757 -0.9220 -2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0560 0.7626 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0474 -0.7449 -0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8860 -0.4906 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3503 0.5108 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5511 -1.2673 1.6067 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 0 25 83 1 0 26 84 1 1 27 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 50120 1 0 M END