HMDB0296977 RDKit 3D DG(2:0/0:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 69 68 0 0 0 0 0 0 0 0999 V2000 -10.8209 1.9413 -2.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1608 1.2330 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2491 -0.2874 -1.6850 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.5836 -0.6785 -1.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5817 -0.9920 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2658 -0.8663 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5778 -1.5303 0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3002 -1.4543 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4092 -0.6128 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 0.4174 0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4393 0.5045 0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5429 -0.4421 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7612 -1.1292 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4723 -1.0724 1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3133 -0.3280 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1798 -1.3110 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 -1.2885 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 -0.2304 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1568 -0.8301 1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9188 0.2385 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8092 0.9723 1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 1.9956 1.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0835 0.7083 -0.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9289 1.4099 -1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3684 1.4600 -0.5636 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1563 2.1907 -1.4593 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8716 0.0327 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 -0.0043 -0.2765 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 0.3545 0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2411 0.2773 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0099 0.7631 1.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6475 2.5980 -2.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0632 2.5205 -3.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2909 1.1958 -3.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6960 1.4914 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0982 1.5261 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7704 -0.5304 -2.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2150 0.0958 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1083 -1.6307 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 -0.2350 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2028 -2.1615 1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8838 -1.9997 1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8143 -1.3077 -0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0035 -0.0257 -0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3689 1.1243 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0115 1.3136 1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 0.2122 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0502 -1.1476 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3662 -1.6968 2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 -1.6003 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 0.3353 0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 0.3740 -0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6746 -2.1387 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 -2.0697 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7185 0.6501 0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 0.1806 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -1.4629 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6301 -1.5235 2.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5246 -0.1508 2.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 0.9654 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 2.4424 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9364 0.9041 -2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4722 1.7834 0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6591 2.2336 -2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8054 -0.3275 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2489 -0.6492 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8334 0.4637 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4635 -0.7071 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4627 1.0674 1.9560 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 3 5 1 0 5 6 2 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 6 4 38 1 0 5 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 24 61 1 0 24 62 1 0 25 63 1 1 26 64 1 0 27 65 1 0 27 66 1 0 30 67 1 0 30 68 1 0 30 69 1 0 M END