HMDB0283360 RDKit 3D PS(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 140139 0 0 0 0 0 0 0 0999 V2000 2.2218 -3.4004 4.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -2.5922 3.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4122 -2.3703 2.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3164 -2.7979 0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3263 -3.5390 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 -2.6712 -1.0035 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4701 -2.5091 -1.7139 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 -3.4260 -1.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5788 -2.7556 -2.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5287 -3.4999 -3.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4623 -2.9406 -4.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5993 -1.4684 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9399 -1.0849 -3.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1352 -0.3037 -2.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 0.2554 -1.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2825 1.0322 -0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1613 1.6236 0.0137 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2656 3.0091 -0.1374 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2071 1.3001 1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 1.4531 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 1.9584 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 0.9433 1.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4899 1.3252 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9002 2.5623 1.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 3.2320 2.6646 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3015 3.0747 1.2217 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9247 4.2448 1.6721 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3301 4.0263 2.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4774 3.1743 3.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7703 2.9198 3.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7225 3.4699 2.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1868 2.0850 4.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2069 0.6205 4.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8989 0.0574 4.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3098 -0.8990 4.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 -1.4691 6.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 -2.8423 6.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1433 -3.8489 5.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 -3.9418 4.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6824 -4.4627 3.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 -3.8625 2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4656 -2.5877 1.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8684 -2.7808 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2223 -2.0678 -0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2512 -0.9824 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6129 0.3114 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9772 1.0561 -2.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0938 0.7056 -2.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5394 0.5221 -4.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8605 1.7420 -4.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3662 1.3664 -6.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 0.1877 -6.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 5.2972 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7016 4.7309 -0.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8973 5.7158 -1.8181 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9685 5.3436 -2.9432 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6964 7.3437 -1.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4932 5.5164 -2.3818 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 5.8373 -3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9515 5.6767 -4.2713 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0041 6.0083 -5.6682 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8551 6.5817 -3.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4962 7.4821 -4.1163 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9557 6.3822 -2.1465 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -4.0478 4.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 -3.9275 4.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -2.7257 5.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4178 -3.0680 2.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0143 -1.6075 3.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -1.8105 2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 -2.5556 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8819 -4.5054 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 -3.7569 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0858 -1.7035 -0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9136 -3.3352 -1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6151 -4.5045 -1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 -1.6934 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4743 -4.6114 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1557 -3.5860 -4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7722 -0.9024 -3.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6372 -1.1979 -5.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8165 -1.4663 -4.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1677 -0.0786 -2.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0206 0.0739 -2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2768 1.2557 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2174 1.3178 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1681 3.3136 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 0.9286 1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1483 1.2237 3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 2.8428 2.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 2.3720 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 -0.0252 1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 0.8135 2.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5968 1.4352 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8015 0.4463 1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3189 4.6857 2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9325 3.6076 1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8031 5.0280 2.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2064 2.3809 5.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 2.2569 5.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 0.5612 3.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8615 0.0945 5.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3672 0.4297 3.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 -1.1974 4.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8123 -0.8479 6.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2129 -1.1440 6.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 -3.1231 7.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5137 -4.8704 5.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -3.1404 3.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 -4.8323 4.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 -5.4251 3.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -4.3126 1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2973 -1.8765 1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7331 -2.1427 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0963 -3.5699 0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7469 -2.2549 -1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9958 -1.2372 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8035 -0.8793 0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 0.6237 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3915 1.9832 -2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8293 1.5686 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6561 -0.1748 -2.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8452 -0.3384 -4.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3924 0.2954 -4.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5542 2.5964 -4.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9423 2.0153 -4.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2253 1.0104 -6.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7888 2.1830 -6.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 -0.7729 -6.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 0.2416 -6.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 0.2218 -5.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3589 6.2556 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0761 5.4470 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4947 7.5607 -0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8417 5.2107 -4.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2756 6.8973 -3.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 4.6444 -4.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4636 5.2835 -6.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0062 5.9643 -5.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6937 5.7632 -1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 27 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 62 63 2 0 62 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 1 7 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 6 18 87 1 0 19 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 22 92 1 0 22 93 1 0 23 94 1 0 23 95 1 0 27 96 1 1 28 97 1 0 28 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 57134 1 0 59135 1 0 59136 1 0 60137 1 6 61138 1 0 61139 1 0 64140 1 0 M END