HMDB0298592 RDKit 3D DG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0/i-13:0) 105104 0 0 0 0 0 0 0 0999 V2000 -16.3489 0.6209 1.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0261 0.6706 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2404 -0.0801 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9898 -0.0902 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5418 1.2880 -1.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2842 1.2011 -2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1396 1.7299 -1.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9383 2.5059 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8626 1.8458 0.3877 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.3343 0.5751 0.6943 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6199 1.6460 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 0.7300 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5211 0.5200 -0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5896 -0.3869 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4087 -0.5073 -1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4931 -1.4378 -1.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7025 -2.3261 -0.0079 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8776 -3.0988 -0.1837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 -3.1884 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 -2.4869 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -1.4867 -0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6301 -1.0159 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6474 -1.3790 -0.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 -0.2979 1.5086 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 0.1780 2.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 -0.8440 2.9805 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7303 -1.5606 3.8587 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3651 -1.7887 2.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2499 -1.1906 1.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 -0.3869 1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4364 -0.2232 2.9228 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2611 0.2778 0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -0.7213 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8509 -0.0318 -1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9977 0.6000 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9034 1.2862 -1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0755 1.9441 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9733 0.9910 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 -0.0332 -0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4907 0.4434 -1.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7553 1.1078 -1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6965 2.3351 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7958 0.1718 -0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9573 -0.2521 1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1740 0.4969 3.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9028 1.5599 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2700 0.1452 1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6909 1.6911 1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0604 0.3509 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5238 -1.1542 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1950 -0.6866 -0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2238 -0.6150 -1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5555 2.0411 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3155 1.6464 -2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3444 0.6312 -2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2750 1.5949 -2.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7928 2.6490 0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4730 3.4897 -0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7231 2.4088 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4994 0.5127 1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 2.2562 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9322 0.1277 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3266 1.1461 -1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7623 -1.0105 0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2382 0.1284 -2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6415 -1.5598 -1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9453 -1.7274 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -3.4950 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3751 -3.7994 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 -3.9508 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 -3.2785 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4116 -2.0206 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 -0.5526 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4735 -1.9356 -1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 0.7275 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4729 1.0212 2.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 -0.3069 3.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3946 -2.4062 3.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0066 -2.4436 2.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 -2.5410 1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 0.8059 1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7319 1.0238 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4532 -1.4929 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1091 -1.2123 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 -0.7752 -1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3553 0.7628 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6561 1.2862 0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5658 -0.2190 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 2.1144 -1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 0.5427 -2.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 2.5339 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6915 2.6664 0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6595 1.5779 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3406 0.4214 0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0522 -0.8086 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7446 -0.5836 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6442 -0.4065 -2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8899 1.1893 -2.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2316 1.4119 -2.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5874 2.9879 -1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9304 2.1244 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8417 2.9976 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6547 0.8597 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4767 -0.2807 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1986 -0.5387 -1.6630 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 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 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 41 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 1 10 60 1 0 11 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 16 66 1 0 17 67 1 1 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 21 73 1 0 21 74 1 0 25 75 1 0 25 76 1 0 26 77 1 1 27 78 1 0 28 79 1 0 28 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 42100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 43105 1 0 M END