HMDB0298971 RDKit 3D DG(i-15:0/0:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 110109 0 0 0 0 0 0 0 0999 V2000 14.3435 -2.5670 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1675 -1.2559 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8572 -0.1426 0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6031 -0.3693 1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3812 -0.4902 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1113 0.6883 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0121 1.4060 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8826 1.1440 0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6024 0.8635 0.0797 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5587 0.6186 0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2494 1.8751 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 2.3596 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6752 3.3548 -1.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 3.9348 -2.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 3.7354 -1.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 2.8620 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 1.7479 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7371 1.1991 -1.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -0.1773 -1.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2343 -1.1337 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8647 -1.4322 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -1.0159 -0.9465 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6215 -2.1158 0.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6427 -2.4185 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4404 -1.1712 1.6386 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8625 -0.3276 2.5561 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8498 -1.6213 2.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 -2.5151 1.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4849 -2.1947 -0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2914 -1.0539 -0.6908 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9366 -3.2423 -1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3847 -3.0617 -1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1834 -3.1611 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6459 -3.0232 -0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9494 -1.7101 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6219 -0.5085 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9854 0.7290 -1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7687 2.0042 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4184 2.2553 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8976 2.2272 1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5767 0.9425 0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0828 1.1493 0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8079 -0.1697 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4325 1.6578 2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9186 -2.3806 1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3821 -3.0498 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9522 -3.2858 -0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4169 -1.3415 -0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1384 -1.0178 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7032 -0.1547 1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8688 0.8394 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5183 0.3925 2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 -1.3594 2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6202 -1.3835 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5677 -0.8522 1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8844 1.0001 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9297 2.2692 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 2.1099 1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0047 0.3016 1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7705 -0.1391 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9614 0.5361 1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9700 2.2672 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 1.8863 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5096 3.6908 -2.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 4.7092 -3.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9414 4.8046 -1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 3.5262 -2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 3.1752 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 1.1743 0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7057 1.0821 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7055 1.7888 -2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 -0.0979 -2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -0.5813 -2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 -2.1054 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 -0.7553 0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 -3.1165 0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5195 -2.8934 2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 -0.5751 0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 0.6014 2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4537 -0.6890 2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 -2.1249 3.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3003 -3.2333 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 -4.2471 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -1.9984 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7252 -3.7946 -2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0023 -4.1420 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -2.3792 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1970 -3.0948 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9587 -3.8244 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4397 -1.5630 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0457 -1.7084 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0968 -0.5549 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5074 -0.5515 -0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8843 0.6642 -1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1471 0.7364 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0845 2.8240 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6346 2.1412 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0190 3.2563 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0201 1.5412 1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1769 2.5568 2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3523 2.9860 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2989 0.1866 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4016 0.5030 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4191 1.8740 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0925 -1.0306 0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1728 -0.2369 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6442 -0.3353 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4211 1.2040 2.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5430 2.7557 2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7020 1.3379 3.0899 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 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 41 42 1 0 42 43 1 0 42 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 6 10 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 6 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END