HMDB0296881 RDKit 3D DG(2:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(17)) 71 70 0 0 0 0 0 0 0 0999 V2000 -8.9111 0.6853 -1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7814 -0.7290 -1.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3889 -1.2079 -1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0347 -1.2247 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9238 -2.0815 0.7754 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5758 -1.6516 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1893 -1.6823 1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2467 -0.9661 2.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 -0.0168 1.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 1.3792 1.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 2.1500 2.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2039 1.8279 2.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 2.8698 1.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1701 2.7478 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 1.5657 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0036 0.2626 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -0.7713 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.6483 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 -1.6251 -0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 -1.5851 -0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 -0.2815 -0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8445 0.6858 0.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6015 -0.0754 -1.9511 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1798 1.1430 -2.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2878 1.6117 -1.4149 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6743 2.8837 -1.9275 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 0.7258 -1.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3058 -0.5356 -0.9169 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9703 -0.8246 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7763 -2.1959 0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8324 0.1763 1.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7474 1.2305 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9598 0.6451 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9400 1.1913 -1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5057 -1.3702 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9945 -0.7318 -2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2026 -2.1970 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6451 -0.5147 -1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1641 -0.2257 0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1570 -2.7981 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9484 -1.1761 -0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 -2.7514 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 -2.3860 2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0514 -1.0799 3.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 -0.3872 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6273 -0.0724 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6771 1.7624 1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 3.1629 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 0.8098 2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 1.9150 3.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 3.9354 1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 3.7549 -0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 1.5594 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 1.7880 -1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 0.1016 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -1.7310 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 0.3465 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 -1.0781 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 -2.6539 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 -1.4881 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7137 -2.4007 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6422 -1.8960 0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 1.9303 -2.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 0.9593 -3.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9319 1.7372 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3857 3.2593 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9436 0.6658 -2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2746 1.2459 -0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1387 -2.1643 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7584 -2.6581 1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2536 -2.8517 0.1523 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 24 63 1 0 24 64 1 0 25 65 1 1 26 66 1 0 27 67 1 0 27 68 1 0 30 69 1 0 30 70 1 0 30 71 1 0 M END