HMDB0007458 RDKit 3D DG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 -14.8784 3.8404 0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1276 2.9893 0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8167 1.6863 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6853 0.9977 0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3284 -0.3101 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8607 -0.1040 -1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6271 0.7459 -1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4392 0.1264 -0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1962 -1.2104 -1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0867 -1.6063 -1.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8933 -0.7662 -1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7968 -1.4940 -0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7369 -1.9522 -1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4915 -1.8309 -3.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3446 -1.1306 -3.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4212 -0.4787 -3.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 -0.2407 -1.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 1.2761 -1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9939 1.3741 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 0.7275 0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8325 0.5550 2.0338 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 0.2649 0.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 -0.3424 0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5282 -0.8078 0.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0714 -1.8012 -0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 -1.1888 -1.8466 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -1.4492 1.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 -1.0548 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1947 -0.1432 0.3603 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6266 -1.7646 2.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0519 -1.3852 2.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -1.6049 0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 -2.9998 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9354 -3.6901 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2995 -3.1920 0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8992 -4.0024 1.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 -3.5114 2.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2407 -2.0670 3.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 -1.5704 3.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2110 -0.6293 2.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5989 0.0650 1.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4199 -0.1333 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8192 0.3551 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8885 1.8369 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3038 2.2874 0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1497 2.1176 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7903 2.8680 -1.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4702 2.6403 -2.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2393 3.5108 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1552 4.9134 1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2873 3.6938 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9439 3.5133 0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4598 2.7524 1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7296 1.0248 0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5827 1.8957 -0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9969 0.8506 2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7756 1.6616 0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2800 -0.9259 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5768 -0.8603 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6535 0.3986 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7101 -1.0832 -1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3364 0.7421 -2.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8270 1.7533 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6299 0.8285 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7791 -0.0022 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0544 -1.9406 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0876 -2.6633 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6420 -0.4788 -2.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9508 0.2186 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8803 -1.6424 0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0037 -2.5241 -1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4266 -1.6253 -3.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3264 -2.9455 -3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2421 -1.1605 -4.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 -0.0240 -3.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9923 -0.6193 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2854 -0.6525 -1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0106 1.8293 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2384 1.6840 -1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9479 2.4589 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8965 0.9226 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 -1.2382 1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 0.3279 1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0549 -0.0063 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 -2.5817 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -2.2744 -1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4095 -0.3125 -2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -1.5124 3.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -2.8818 1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5324 -1.9832 2.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 -0.3355 2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -0.9784 -0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7912 -1.1177 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9108 -3.5534 0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9080 -4.7596 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8919 -3.4976 -0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4372 -2.1273 0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 -5.0979 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7626 -4.1283 3.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -1.4546 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7208 -2.0224 4.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1845 -2.0169 4.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2496 -0.3253 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5714 -0.1837 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6419 1.1667 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8573 0.4101 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4529 -1.1981 -0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2922 -0.1653 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3588 0.0426 -0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4538 1.9768 1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2852 2.4305 -0.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7817 1.7314 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2931 3.3932 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3272 1.0200 -0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1924 2.4647 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9798 3.9643 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5790 2.6237 -2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8102 3.5171 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 1.6807 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5468 2.7320 -3.5133 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 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 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 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 23 82 1 0 23 83 1 0 24 84 1 6 25 85 1 0 25 86 1 0 26 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END