HMDB0283534 RDKit 3D PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/LTE4) 147146 0 0 0 0 0 0 0 0999 V2000 -0.6963 1.4275 1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 0.7345 2.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 1.3002 3.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8205 0.7238 3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3297 -0.5840 3.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -1.6252 4.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -2.9332 4.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -3.2693 4.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -4.6901 3.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8309 -5.5750 3.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 -5.1876 2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -5.8497 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7921 -5.9221 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5034 -5.3613 0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2394 -4.5606 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0925 -3.3424 -0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 -2.5312 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.9112 -1.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 -2.4828 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 -1.5587 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9821 -0.7731 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 0.3608 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 0.3557 1.3552 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6786 1.5819 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 2.7352 0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 3.9044 -0.1954 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0080 5.0727 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 4.6055 0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 5.9438 0.5945 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6040 6.0334 -1.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 7.3383 1.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8864 5.7802 1.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8691 5.7876 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 5.7194 0.7973 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1366 4.7651 1.9178 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1289 4.9760 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2642 4.6721 0.2653 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7598 4.7147 -1.4586 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4126 3.3321 -0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5446 2.4408 -1.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6397 2.2145 -2.4275 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 1.8907 -2.3646 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3960 3.0041 -2.7517 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 0.7472 -3.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0671 -0.2904 -3.2159 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 -0.0960 -4.5959 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6039 -0.1694 -3.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7433 0.0738 -2.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0662 -0.0577 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4443 0.3194 -0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8172 0.1624 -0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2156 0.5855 0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3528 1.1069 1.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8367 0.2941 3.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2057 -0.4284 3.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7311 -0.6743 3.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2766 -1.5988 2.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 -2.5712 2.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7489 -3.6633 3.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3666 -4.9766 2.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2069 -1.5538 -5.1575 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0045 -1.5073 -6.3621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1374 -2.0646 -5.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7936 -1.7753 -6.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1493 -1.1965 -6.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0472 0.2682 -6.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 0.8045 -7.2183 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 1.0175 -6.9434 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 2.4695 1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6604 0.8249 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 1.6152 1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 -0.2697 2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 0.3234 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8097 2.4747 3.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 1.5240 4.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6842 -0.8555 2.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 -0.7517 4.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -1.3404 4.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8276 -3.6621 4.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 -2.7776 3.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 -2.7795 4.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0479 -5.1286 4.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2677 -6.5927 2.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -4.0736 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8118 -5.3727 2.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 -6.2922 0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9556 -6.4042 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 -6.2642 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -4.7791 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0953 -5.0471 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7661 -2.7695 -1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0984 -1.4470 -0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2281 -2.8853 0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -3.5755 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1119 -2.7922 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9496 -2.1592 0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -0.8158 0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 -1.5095 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1431 -0.5289 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0482 2.7817 0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 2.8078 1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 3.9887 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 4.9977 1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0652 6.0620 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 7.6974 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 6.9183 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 5.1963 -0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 6.6342 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 5.2415 2.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0993 4.7455 2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 3.7572 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7848 1.4721 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 3.4390 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 3.7277 -3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 1.2494 -4.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 0.2427 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 0.7003 -5.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5049 -0.2932 -4.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8823 0.2189 -1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7884 -0.7451 -2.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7642 1.0201 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5793 -0.2987 -1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2902 0.4187 1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 0.6069 1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1818 2.0917 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9675 0.3499 3.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7373 -0.9317 4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2861 -0.8335 4.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3086 0.3726 3.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5051 -2.3581 3.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5998 -1.1492 2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1674 -1.9924 1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8211 -2.8946 1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2224 -3.5633 4.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8373 -3.6202 3.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5517 -5.4383 3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -5.6556 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9291 -4.7514 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8015 -2.1962 -4.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -0.6287 -6.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 -1.5071 -4.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 -3.1115 -5.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -1.1616 -7.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8638 -2.7894 -7.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.7184 -7.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5686 -1.2174 -5.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 1.0650 -6.0724 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 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 36 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 46 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 2 0 66 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 6 27103 1 0 27104 1 0 31105 1 0 33106 1 0 33107 1 0 34108 1 1 35109 1 0 35110 1 0 38111 1 0 42112 1 1 43113 1 0 43114 1 0 44115 1 0 44116 1 0 46117 1 6 47118 1 0 48119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 61139 1 1 62140 1 0 63141 1 0 63142 1 0 64143 1 0 64144 1 0 65145 1 0 65146 1 0 68147 1 0 M END