HMDB0287380 RDKit 3D PC(PGJ2/20:3(8Z,11Z,14Z)) 140140 0 0 0 0 0 0 0 0999 V2000 -7.4644 6.5685 -4.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3954 6.3961 -3.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8048 5.0781 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6131 3.9111 -3.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9097 2.5894 -2.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7145 1.5170 -3.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3609 0.5525 -4.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0634 0.2475 -4.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8918 1.0529 -4.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 1.7640 -5.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4611 1.8243 -6.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5965 1.3288 -7.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4678 0.7206 -7.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 0.3412 -6.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4885 -1.1712 -6.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -1.7297 -5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5551 -1.4615 -4.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 -0.0808 -4.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 0.0558 -4.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 -0.4553 -2.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -0.0666 -1.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.3171 -2.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4578 -1.7787 -0.8271 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6428 -3.2140 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 -3.7902 -0.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0342 -3.3711 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9663 -2.4137 0.6321 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 -4.0397 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4422 -3.3320 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -1.9491 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 -1.3840 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6461 -0.2192 1.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5423 0.6810 1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 1.0509 2.3927 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5655 1.6626 3.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 2.9717 3.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8515 3.3812 2.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 4.4342 1.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 2.2479 1.9583 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6320 2.4974 2.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9925 1.8683 3.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 2.4029 4.0304 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6658 1.9263 3.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 2.1444 5.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0463 2.6378 6.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4316 2.0904 6.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1482 2.6059 7.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5336 2.0116 7.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2435 -1.2237 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 -1.7602 1.2173 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9569 -1.1944 2.1114 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3815 0.1300 1.5278 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3727 -0.8852 3.6939 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2210 -2.2813 2.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 -3.4989 2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8318 -4.5184 2.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7626 -4.0202 3.8532 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.5583 -2.9276 3.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9879 -3.5342 5.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6548 -5.0868 4.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2219 5.8813 -5.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7754 7.6059 -4.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4636 6.3659 -4.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7374 7.2036 -2.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4328 6.5192 -2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7825 5.0064 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 4.9696 -1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6350 3.8705 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6141 3.9726 -4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8958 2.7407 -3.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9045 2.6340 -1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8087 1.5620 -2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2148 -0.1741 -4.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7698 -0.8258 -4.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2141 0.0881 -5.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4662 1.1012 -3.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 2.3683 -4.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5991 2.9842 -6.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5293 1.5073 -6.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 1.5244 -8.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9825 0.4277 -8.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1546 0.7099 -5.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6802 0.7841 -6.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9401 -1.5083 -7.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 -1.5997 -6.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 -1.6495 -4.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -2.8805 -5.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -1.9465 -5.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7704 -2.1417 -3.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3392 0.4608 -3.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1455 0.3987 -5.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 -0.4607 -4.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 1.1434 -4.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 -1.2324 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -3.8062 -1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3306 -3.4571 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6215 -4.1127 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 -5.0749 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3627 -3.9648 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2191 -3.2599 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8652 -1.3501 -0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2307 -2.1163 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6687 -1.9778 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 0.0582 2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 1.6936 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7974 0.4252 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0552 0.2786 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0423 1.0963 4.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1689 3.6953 3.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 2.1886 0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0651 3.3992 2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4469 0.9912 3.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6564 3.5305 3.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 2.5988 3.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1972 2.5880 5.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0122 1.0327 5.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 3.7618 6.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5573 2.3605 7.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 2.4470 5.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 0.9961 6.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 3.7185 7.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 2.2946 8.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6718 1.4397 8.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 2.8131 7.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 1.3177 7.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 -1.5594 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -0.1173 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 -3.9091 1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 -3.4166 3.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -4.6563 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3944 -5.4687 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5358 -3.0387 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0803 -1.9583 3.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 -3.0123 3.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4918 -2.5752 4.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2062 -4.2506 5.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6562 -3.3613 5.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5378 -4.6316 4.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1106 -5.8063 4.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9901 -5.5597 3.2596 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 39 34 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 1 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 1 35108 1 0 36109 1 0 39110 1 6 40111 1 0 41112 1 0 42113 1 1 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 53 -1 57 1 M END