HMDB0297232 RDKit 3D DG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/8:0/0:0) 92 91 0 0 0 0 0 0 0 0999 V2000 11.4040 0.6364 4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 0.8773 3.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9502 0.8872 1.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6538 0.0538 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6681 -1.0247 0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4438 -0.9846 0.1235 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7443 0.2036 0.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5399 -1.4781 -1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6053 -1.1486 -2.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6113 -1.5919 -3.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5135 -1.1162 -4.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5575 -0.3156 -3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7155 0.3884 -3.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 1.2799 -2.7910 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5636 1.4063 -3.6335 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 0.6971 -1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8695 -0.7101 -1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7517 -1.2777 -1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 -0.6962 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 -1.2346 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -0.5802 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 0.8540 1.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 1.3555 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9091 0.3594 1.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7929 0.7253 2.8074 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 -0.9166 1.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -2.0438 1.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9008 -1.9163 1.1389 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4896 -1.3288 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5835 -2.1809 -0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7938 -0.9884 1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1449 -1.2286 1.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5542 -2.3780 1.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1702 -0.3185 2.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0693 1.0392 1.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0911 1.0392 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2878 0.4766 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5847 1.1636 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7146 0.5843 -0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5788 0.9174 -2.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3573 -0.4200 4.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2337 1.2529 5.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4485 0.8681 3.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4921 0.2862 3.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9893 1.9575 3.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6852 1.6879 1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1320 0.1779 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3828 -1.1331 2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1551 -2.0460 0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 -1.7623 0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 0.0685 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3881 -2.1227 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8606 -0.4628 -1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 -2.0871 -4.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 -1.5028 -5.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 -0.1769 -4.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2502 0.3619 -2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0465 2.2653 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 2.3633 -3.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4978 1.3334 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 0.7361 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6928 -1.4159 -1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 -2.4081 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4856 0.4304 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 -0.9451 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 -2.3666 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 -1.2604 2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2411 1.4343 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2325 0.9860 2.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0925 2.3184 1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 1.5667 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7119 -2.3318 2.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0156 -2.9428 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3202 -2.8759 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 -0.3573 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4019 -1.2692 -0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0335 -2.9004 -1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9013 -0.2067 3.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1815 -0.7237 2.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0212 1.6106 2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2166 1.6011 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9394 2.1107 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1922 0.4964 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1170 0.5227 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3591 -0.6192 -0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5783 2.2488 -0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7971 0.9517 1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6835 -0.5693 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6555 0.9177 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0912 1.9416 -2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2061 0.2475 -2.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5716 0.9267 -2.7173 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 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 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 1 7 51 1 0 8 52 1 0 9 53 1 0 10 54 1 0 11 55 1 0 12 56 1 0 13 57 1 0 14 58 1 1 15 59 1 0 16 60 1 0 16 61 1 0 17 62 1 0 18 63 1 0 19 64 1 0 19 65 1 0 20 66 1 0 21 67 1 0 22 68 1 0 22 69 1 0 23 70 1 0 23 71 1 0 27 72 1 0 27 73 1 0 28 74 1 6 29 75 1 0 29 76 1 0 30 77 1 0 34 78 1 0 34 79 1 0 35 80 1 0 35 81 1 0 36 82 1 0 36 83 1 0 37 84 1 0 37 85 1 0 38 86 1 0 38 87 1 0 39 88 1 0 39 89 1 0 40 90 1 0 40 91 1 0 40 92 1 0 M END