HMDB0267433 RDKit 3D PA(i-13:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 109108 0 0 0 0 0 0 0 0999 V2000 -14.4986 0.8131 -2.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5817 1.0818 -1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3121 1.7829 -1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4266 2.0384 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1655 2.7361 -0.7989 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3108 3.0121 0.2728 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4975 2.2434 -2.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6141 1.2599 -1.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2860 0.6190 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8665 0.8295 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0267 -0.1398 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4169 -1.6005 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5526 -2.2109 -1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7782 -3.2052 -1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 -3.9644 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2324 -3.8179 1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6505 -3.4329 2.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2371 -3.0918 2.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0634 -1.6646 3.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 -1.2444 3.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 -1.2839 2.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1222 -1.7402 1.1259 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5364 -0.8051 2.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3871 -0.8648 1.1677 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5713 -1.6780 1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 -1.8107 0.5195 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3868 -0.8866 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3928 0.2690 0.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3227 -1.3133 -1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1517 -0.1925 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0229 0.5026 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0436 -0.3751 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9733 -0.9358 -0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0400 -1.8044 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 -1.2709 0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8384 -0.1341 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2817 1.1916 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5045 2.1389 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9529 3.5253 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4054 1.7232 -1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5604 0.5527 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 1.0730 0.5378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 2.6897 0.0663 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9826 2.8102 -1.3287 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 3.4722 0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 3.4504 1.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7148 -0.2626 -2.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0552 1.2238 -3.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4707 1.3158 -2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2171 0.1329 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0075 1.7191 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5406 2.7317 -2.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8278 1.0928 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3030 1.1133 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0791 2.6937 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5140 3.7940 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7600 2.9347 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6974 2.6663 -3.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1495 0.9388 -2.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9746 0.8710 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4585 -0.4573 -0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 1.8852 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9662 0.0585 0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3217 -2.0037 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4579 -1.7514 -0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6089 -1.7528 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -3.5326 -1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7102 -5.1061 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3896 -4.0627 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3417 -4.0882 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 -3.3718 3.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 -3.7322 3.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5666 -3.2852 1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 -1.5118 4.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5075 -0.9451 2.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6241 -0.2064 3.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2299 -1.9209 4.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8008 -1.3946 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2067 -2.7325 1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0876 -1.3211 2.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9106 -2.1493 -0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7338 -1.7312 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4515 0.5439 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7465 -0.5933 -2.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4849 1.1540 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6415 1.2515 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 -1.1701 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6398 0.3008 0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2674 -0.1611 -1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2771 -1.6093 -1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4963 -2.7075 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6475 -2.2809 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6437 -2.1464 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4094 -1.1324 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4543 0.0197 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6123 -0.4017 -0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6937 1.6283 0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7879 1.2813 -0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0157 2.2102 0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6559 4.2850 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9617 3.5940 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7647 3.5821 -1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8998 1.2204 -2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8774 2.6602 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2493 1.1162 -0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 0.6794 -0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 1.2153 1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 2.8503 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 4.4104 0.9505 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 5 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 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 38 40 1 0 24 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 6 6 57 1 0 7 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 6 25 79 1 0 25 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 45108 1 0 46109 1 0 M END