HMDB0295491 RDKit 3D DG(16:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0) 111110 0 0 0 0 0 0 0 0999 V2000 -13.6788 3.9003 2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3420 2.9161 1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3977 1.7594 1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9068 0.6768 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7888 -0.3934 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1035 -1.5178 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4512 -1.9239 -1.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2455 -1.3900 -2.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6047 -0.1974 -1.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4069 -0.0756 -1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5389 -1.2852 -1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3433 -1.0025 -2.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1389 -0.9905 -1.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8362 -1.2430 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6094 -1.2155 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 -1.4728 1.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2495 -1.7466 2.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -1.4315 2.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -2.8194 2.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 -3.3758 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 -2.5058 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3223 -2.6992 -1.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -1.4997 0.4369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -0.6619 -0.3643 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2690 0.7298 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 1.2692 0.9047 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -0.9139 -0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 -0.1466 -0.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8976 1.1363 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.9002 0.0334 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8363 1.8130 -1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4877 0.9411 -2.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3298 -0.1655 -2.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 0.4215 -1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 -0.7252 -0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4392 -0.2828 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9670 0.4035 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0282 0.8660 2.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9663 1.9346 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8679 1.7803 0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7846 0.5994 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6709 0.5130 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5888 -0.6659 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5016 -0.5881 0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3646 0.6315 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9770 3.6358 3.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9210 4.9422 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5599 3.7720 2.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4316 3.4408 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3015 2.6114 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4214 2.1573 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2373 1.3379 2.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9895 1.1411 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8330 0.2594 0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8549 0.1363 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8955 -0.7895 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0540 -2.0895 -0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9262 -2.8460 -2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5976 -1.1004 -3.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5320 -2.2198 -2.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1734 0.7499 -1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0500 0.8885 -1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0193 -2.2306 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2964 -1.3546 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4576 -0.8007 -3.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -0.7733 -2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6034 -1.4747 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8003 -0.9885 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -1.1515 3.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3029 -0.6664 1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -2.8362 2.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0092 -3.4915 2.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2469 -3.5365 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -4.3743 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 -1.0592 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1379 1.3928 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3888 0.6301 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 2.0038 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 -0.7181 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 -2.0162 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5895 2.4219 -1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 2.5724 -2.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 0.4646 -3.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1169 1.5984 -3.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7203 -0.8908 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7766 -0.6994 -3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0467 1.0809 -2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 1.0751 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7557 -1.1895 -1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 -1.4905 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8928 -1.2719 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1714 0.1833 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2321 1.2378 0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2998 -0.3048 1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5681 1.1141 3.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6915 -0.0227 2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4203 2.9333 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6742 2.0601 2.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5841 2.7234 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3611 1.9463 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4867 0.7448 1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2109 -0.3291 0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9955 0.3435 -1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2014 1.4635 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9652 -1.5808 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1685 -0.7596 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9473 -0.6621 1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1752 -1.4933 0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3156 0.4586 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5956 0.9500 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8352 1.4846 1.1840 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 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 24 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 43 44 1 0 44 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 6 25 76 1 0 25 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 M END