HMDB0288039 RDKit 3D PC(22:2(13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 152151 0 0 0 0 0 0 0 0999 V2000 8.8200 -1.5284 -3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5715 -0.0105 -3.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3246 0.4809 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2423 1.0918 -1.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 1.3433 -2.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8169 0.6799 -2.1398 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8745 1.0235 -3.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3661 1.0549 -0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5402 0.2062 0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0837 0.5972 1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 -0.1567 2.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8369 -1.4626 2.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 -2.1344 1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1537 -3.2942 1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0079 -4.0526 1.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7499 -5.2054 1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 -6.0905 1.4737 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8430 -6.4098 2.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 -7.3425 0.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 -7.2734 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8412 -6.0173 -1.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4329 -6.2419 -1.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1248 -4.9714 -2.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 -5.0997 -3.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8761 -6.2497 -3.2665 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 -4.0400 -3.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4355 -4.0164 -4.0204 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3434 -3.1613 -5.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9563 -1.8578 -4.9514 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 -0.8124 -5.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9393 -0.9867 -7.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 0.5498 -5.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 0.6345 -3.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9588 -0.2739 -3.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6455 -0.2450 -1.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 -0.6219 -1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 -0.6594 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 -1.0399 1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -1.1985 2.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -2.2802 2.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 -2.5763 4.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0911 -1.5254 5.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2285 -0.9579 5.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4299 0.3176 4.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 1.3969 4.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 2.1442 3.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3428 3.4387 3.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0265 4.2745 4.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 4.9259 4.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4646 5.8139 3.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 6.4733 3.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1112 7.3359 4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5879 -3.5461 -3.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4677 -2.2781 -2.6702 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8759 -1.9308 -1.7947 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9855 -2.8477 -2.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7347 -2.3115 -0.1553 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.4036 -0.3645 -2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6042 0.3636 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0782 1.7713 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2903 2.5424 -0.0056 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.5236 3.3232 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2272 3.5129 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4387 1.7615 1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7985 -1.7329 -3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7802 -1.8826 -4.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 -2.0538 -2.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 0.4063 -3.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9087 0.2957 -4.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1261 0.3327 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2135 1.4088 -0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9299 2.4692 -2.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3114 1.1655 -3.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9765 -0.4100 -2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5668 1.9565 -3.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 2.0134 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -0.7092 -0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 1.5913 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7987 0.3391 3.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1464 -2.1593 3.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 -1.3155 3.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4212 -1.6371 1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 -3.6574 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -3.7505 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4033 -5.5318 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 -5.6115 1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -6.6745 3.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1012 -8.2449 1.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 -8.1478 -1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 -5.6696 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 -5.2002 -0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1422 -6.6727 -0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 -7.0282 -2.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -4.5073 -3.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -4.2694 -1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 -5.0368 -4.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6407 -3.6029 -6.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3325 -3.1058 -5.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 1.3136 -5.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 0.8124 -5.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 0.4677 -3.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 1.6901 -3.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -1.3156 -3.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 0.1192 -3.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2312 -0.9157 -1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3052 0.7743 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 -1.6774 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6341 0.0862 -1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2324 0.3689 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -1.3057 0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5556 -0.2840 0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1729 -2.0044 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 -0.2392 3.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6442 -1.5325 2.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 -3.2201 2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 -2.1580 2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -3.5199 4.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5568 -2.9574 4.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 -2.0813 6.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 -0.8159 5.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1393 -1.5892 5.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 0.6417 4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 2.0496 5.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5914 0.9158 5.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 1.6361 2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3806 3.9304 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2247 3.9028 5.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7245 5.1849 4.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 5.4505 5.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 4.0888 4.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 6.6019 3.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3209 5.2356 2.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6391 5.7193 3.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9027 7.1128 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 6.7680 5.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 7.9720 4.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 8.0500 4.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -3.6078 -3.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6798 -4.2904 -2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6102 0.4684 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3092 -0.1943 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2931 2.2684 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0351 1.7036 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3650 2.6259 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5622 3.7887 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 4.0675 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2256 3.0930 -0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3596 4.4338 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2268 3.7505 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4662 2.4075 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3632 1.1569 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5319 1.1196 1.2878 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 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 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 61 62 1 0 61 63 1 0 61 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 1 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 6 28 97 1 0 28 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 62144 1 0 62145 1 0 62146 1 0 63147 1 0 63148 1 0 63149 1 0 64150 1 0 64151 1 0 64152 1 0 M CHG 2 57 -1 61 1 M END