HMDB0267387 RDKit 3D PA(i-12:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 107106 0 0 0 0 0 0 0 0999 V2000 8.8273 -2.4880 -3.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -2.7329 -2.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1828 -1.8032 -1.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5443 -0.3484 -1.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 -0.1438 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4636 1.2590 -1.4995 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2820 1.6674 -2.8439 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9210 2.2622 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3720 1.9430 0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8634 3.0000 1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 2.8748 2.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0921 1.6587 3.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4926 0.3566 2.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6591 -0.6592 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -0.4872 2.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3791 -1.4897 2.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -1.2017 2.6522 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8267 -0.4018 3.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -0.6219 1.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -0.2672 1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 0.7691 2.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 1.1331 2.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3715 2.0715 3.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 0.4576 1.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 0.8821 1.5690 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9459 -0.2929 2.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2695 -0.0809 2.3921 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3752 0.0958 1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2357 0.0460 0.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 0.3464 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7514 0.7399 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3809 1.9923 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3314 2.6033 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8891 2.0213 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8481 0.9489 -1.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6811 -0.4291 -1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9239 -1.2493 -1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6926 -2.6575 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8545 -3.5601 -1.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4041 -3.1516 -1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 1.1744 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 0.0068 -0.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6937 0.2827 -2.2175 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7933 -0.5668 -3.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 1.8978 -2.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2807 -0.1933 -2.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7407 -2.9085 -4.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 -1.4359 -4.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9657 -3.0781 -4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0665 -2.7561 -2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6157 -3.7666 -2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4045 -2.0495 -0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1085 -1.9537 -1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9293 0.2564 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2957 -0.0161 -2.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6290 -0.8148 -1.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 -0.4766 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5898 1.2825 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3073 2.6660 -2.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9485 3.3056 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3401 0.9042 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 4.0509 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9762 3.8528 3.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 1.6826 3.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6343 1.8321 4.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5561 0.0546 2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0350 -1.6073 2.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 0.4293 3.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 -2.4546 2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 -2.1481 2.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5894 -0.9113 4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4998 -1.3438 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 0.2843 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6484 0.1037 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -1.1568 1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 1.7355 2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7952 0.4700 3.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 1.7336 2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7787 -1.1462 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3973 -0.6804 3.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0099 -0.5597 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5993 1.2214 2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5985 -0.1176 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7337 0.7109 1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0569 2.7837 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4008 1.8824 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8429 3.6330 -0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2351 2.9930 0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9819 1.7509 -2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3095 2.9438 -2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0569 0.8383 -2.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9035 1.3179 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7538 -0.9187 -1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7988 -0.4990 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8085 -0.8052 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9118 -1.2301 -2.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5512 -2.6882 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2509 -3.2874 -2.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6177 -3.4438 -0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5523 -4.6247 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5268 -2.9800 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2104 -2.5891 -2.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5628 -4.2412 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4119 1.7601 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5986 1.8005 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 2.2185 -3.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8162 0.5265 -2.9510 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 6 8 1 0 8 9 2 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 25 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 0 5 57 1 0 6 58 1 1 7 59 1 0 8 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 16 69 1 0 17 70 1 1 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 25 78 1 1 26 79 1 0 26 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 45106 1 0 46107 1 0 M END