HMDB0294815 RDKit 3D DG(13:0/0:0/20:3(5Z,8Z,11Z)-O(14R,15S)) 104104 0 0 0 0 0 0 0 0999 V2000 -12.1478 0.8775 1.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0232 1.8715 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6714 1.2203 1.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3367 0.1906 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2909 0.7700 -1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9147 -0.2624 -2.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5683 -0.8726 -2.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3802 -0.0858 -2.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9457 1.1149 -1.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6064 1.0289 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1756 2.3962 0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 2.9372 -0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7867 2.0595 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 2.4687 0.4101 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6303 0.8479 -0.9056 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6235 -0.0771 -0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 -0.6555 0.4505 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7433 0.3553 1.3217 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 -1.3708 1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -1.9499 2.3457 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 -2.9834 2.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 -3.3210 1.1882 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4366 -3.5800 3.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 -4.4663 3.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 -3.7900 3.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -3.1053 1.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 -1.8114 1.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5052 -0.8766 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6856 -0.0895 2.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8045 -0.0724 2.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -0.8980 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4551 -1.6590 1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4972 -1.4299 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5844 -0.5006 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8926 -1.2277 -1.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 -0.2888 -2.8419 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0909 -1.0607 -2.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4019 -0.8049 -2.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.3271 -1.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6124 1.7045 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3754 1.9883 -3.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1113 3.4406 -3.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0817 1.3712 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9758 -0.0075 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3621 0.6029 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1786 2.5826 1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0395 2.4705 0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5957 0.8525 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9180 2.0581 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4377 -0.3616 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2229 -0.5261 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3434 1.1285 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6634 1.6474 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6489 -1.1263 -2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1701 0.0736 -3.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4760 -1.4472 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6019 -1.7371 -2.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5324 0.2483 -3.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4764 -0.7962 -2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9793 1.4449 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5651 2.0399 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 0.3444 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5025 0.7723 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0569 3.0522 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9919 2.2822 1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1282 3.0909 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7274 3.9095 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9529 -0.9466 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 0.2509 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 -1.3022 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 0.6331 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 -0.6141 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -2.0969 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2864 -4.0807 4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1862 -2.6972 4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5663 -5.2895 2.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 -4.9568 4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8051 -4.6359 2.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -3.2430 3.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 -3.7305 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3029 -1.4687 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1463 -1.3805 3.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -0.0598 2.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5928 0.6239 3.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5706 0.6616 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 -1.7684 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 -0.4181 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5315 -2.3715 2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4262 -1.9994 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6184 0.0442 -0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2701 0.3705 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 -2.0978 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0765 -1.8938 -3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7782 -1.7785 -1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1240 -0.7952 -3.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4593 0.2478 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9609 0.2698 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5672 2.0615 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 2.3921 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4679 1.9220 -2.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1303 1.2700 -3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8594 3.7414 -4.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3193 4.0440 -2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0720 3.5859 -3.8649 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 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 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 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 37 35 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 16 68 1 0 16 69 1 0 17 70 1 6 18 71 1 0 19 72 1 0 19 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END