HMDB0267375 RDKit 3D PA(i-12:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 104103 0 0 0 0 0 0 0 0999 V2000 12.4996 -0.0058 5.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7554 0.2547 4.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7410 0.0668 3.4574 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2116 -1.2453 3.5198 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1316 0.2834 2.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8581 0.0219 1.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3358 0.2579 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 0.0127 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1260 -0.5334 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6547 -1.8277 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 -2.0655 0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 -1.0377 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3129 -1.4645 1.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -1.6069 0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -1.3809 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -0.3391 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4832 0.7914 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5829 1.1393 -1.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 1.3233 -3.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 2.3809 -3.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0146 2.2433 -3.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 3.2059 -2.7265 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.0358 -3.3144 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.9469 -2.8203 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1130 -0.1065 -1.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3445 -0.2996 -1.2283 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 -0.9035 -1.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4414 -1.4213 -2.8844 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7405 -0.9870 -0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7984 -1.5839 -1.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1220 -1.6997 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1031 -2.5865 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4760 -2.6395 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9348 -1.2944 1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0143 -0.7189 2.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5119 0.6371 2.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5668 1.1311 3.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1795 1.2229 3.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0013 2.5088 4.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8084 0.6349 -4.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 1.6217 -5.0611 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 1.2712 -6.4830 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6653 2.5864 -7.1662 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3703 0.3834 -7.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 0.3583 -6.1606 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 0.3369 5.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5445 -1.1072 6.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9328 0.4718 6.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2814 1.2410 4.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9913 -0.5541 4.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6122 0.7691 3.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9270 -1.7582 2.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7656 0.6790 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2823 -0.3603 2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0450 0.6822 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7716 0.2108 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6803 -0.7767 2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3429 0.1937 1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3821 -2.6593 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1252 -3.0617 -0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7813 -0.0686 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 -0.8366 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6671 -1.6496 2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.9323 1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 -2.3572 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -1.3707 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6204 -0.5623 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 1.4205 -0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 2.1467 -1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 0.4475 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2787 1.4225 -3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9228 0.3175 -3.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 2.3148 -4.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 3.4186 -3.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 1.9534 -2.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 0.0084 -1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8127 -1.1227 -2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5272 -1.7491 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0638 -0.0314 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9598 -0.9828 -2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5033 -2.6237 -2.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4118 -0.6705 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8555 -2.0568 -1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7625 -3.5845 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3764 -2.1954 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4266 -3.3680 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2338 -3.0227 -0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0815 -0.5848 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9323 -1.4309 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9833 -1.3978 3.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -0.5553 1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5515 0.6005 2.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3661 1.3449 1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6028 0.4514 4.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2446 1.6384 2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7328 0.2155 3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5584 1.9275 3.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0678 2.6766 4.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8209 2.5697 5.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4228 3.3080 3.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 0.7654 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 -0.3266 -4.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6413 -0.0979 -7.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7244 -0.5231 -6.6425 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 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 37 39 1 0 24 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 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 1 4 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 17 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 1 25 76 1 0 25 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 44103 1 0 45104 1 0 M END