HMDB0298343 RDKit 3D DG(20:4(5Z,8Z,11Z,13E)-OH(15S)/i-12:0/0:0) 101100 0 0 0 0 0 0 0 0999 V2000 6.4673 -3.5894 3.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0286 -3.7578 1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2285 -3.5049 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 -2.1175 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9883 -1.8480 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8365 -1.9189 -1.4917 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3960 -3.1123 -2.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2241 -0.7750 -2.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8700 0.3691 -1.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2765 1.4404 -2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 2.5617 -1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 3.0625 -0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5184 2.3362 0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7815 2.0011 1.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3653 2.2992 1.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 1.1181 2.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 0.8483 1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 1.6525 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 2.2309 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 3.0274 -1.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 3.6422 -0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 4.2435 -2.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7498 3.6193 0.1485 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0016 4.2381 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9759 3.6170 -0.8053 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1965 4.5518 -0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9615 4.5410 0.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3646 2.3230 -0.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 1.1928 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6983 1.3242 -2.4216 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7608 -0.1419 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1716 -0.3494 -1.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 0.7760 -0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4355 0.7731 -1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2344 -0.4399 -0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2673 -0.5735 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0450 -1.7204 1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5978 -3.0803 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5165 -4.0866 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9633 -3.8885 0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0780 -5.4994 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 -4.3934 3.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2198 -2.5749 3.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5652 -3.7108 3.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8053 -4.8600 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 -3.1946 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9536 -4.3074 0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8414 -3.5763 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0381 -1.3411 0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1461 -2.0309 1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3861 -0.8396 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7993 -2.5590 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9537 -1.8874 -1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8517 -3.3981 -2.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0309 -0.8372 -3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0423 0.4105 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1222 1.2710 -3.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4711 3.2863 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6673 4.0284 -0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 3.6165 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5988 2.0753 0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2865 1.4426 2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3078 2.8945 2.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 2.9857 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7074 0.4663 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -0.0658 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0257 0.9475 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7999 2.4215 -0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 1.3708 0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 2.8424 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 3.8476 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 2.4171 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4039 4.4364 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 5.2816 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 3.6052 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 5.5361 -1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7488 4.1531 -1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4581 5.1140 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 -0.9699 -1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 -0.1107 0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 -0.3256 -2.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5793 -1.3133 -1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5523 1.7229 -1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 0.8102 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9437 1.6487 -0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4683 0.9699 -2.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8037 -1.3213 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2893 -0.2548 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2117 -0.6096 0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7744 0.3595 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1451 -1.5909 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8974 -1.7141 2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5606 -3.3230 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7082 -3.2314 -0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3924 -3.9085 2.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4613 -3.1717 1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5135 -4.8575 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1732 -3.5691 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2709 -5.7762 1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9364 -6.2009 1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6959 -5.5226 -0.0444 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 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 26 27 1 0 25 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 39 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 6 7 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 6 26 76 1 0 26 77 1 0 27 78 1 0 31 79 1 0 31 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 40 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END