HMDB0289182 RDKit 3D PC(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/DiMe(13,5)) 157157 0 0 0 0 0 0 0 0999 V2000 5.5540 1.8111 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9852 0.4937 -1.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 0.5888 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2126 -0.1933 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 -1.2174 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8485 -0.9303 0.4660 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5243 0.3201 -0.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9159 -1.9543 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 -2.5630 0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1104 -3.5644 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7988 -4.2075 0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0144 -3.9835 2.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 -4.9862 3.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -6.2021 3.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -6.8435 2.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 -8.0942 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8453 -8.7681 0.7871 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0092 -9.5213 1.1121 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 -9.6784 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 -9.6575 -0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 -8.7233 -1.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 -7.8394 -2.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2142 -6.8644 -3.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3723 -5.9966 -3.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2468 -6.4719 -4.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -4.7001 -3.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 -3.9345 -3.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 -2.5361 -2.8629 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4434 -1.7233 -3.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 -0.4037 -3.0304 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2665 0.4920 -3.8399 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1319 -0.3865 -4.2575 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 1.6937 -2.7832 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.9529 1.2249 -5.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 0.6751 -6.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 1.2478 -7.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 2.6359 -7.8469 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.1780 3.3298 -6.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 3.2887 -7.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 2.9089 -9.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -2.6417 -1.4905 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6525 -2.2287 -0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6125 -1.7358 -1.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7214 -2.3662 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0999 -1.4323 1.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 0.0011 1.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 0.7989 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 0.9504 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7791 1.5740 1.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5426 0.8368 2.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5495 1.6698 3.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 0.8384 4.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 1.2814 5.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 2.5076 6.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2769 3.8355 5.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 4.1596 5.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0623 4.1296 3.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3153 4.4773 3.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1453 4.5639 2.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2924 6.0055 2.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1367 6.1235 0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5268 5.5614 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3222 5.7226 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8014 4.7758 4.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1689 5.2220 5.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7358 4.5730 5.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 4.7536 7.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5469 2.6384 -1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 1.6769 -2.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2350 2.1312 -3.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 -0.3641 -2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0811 0.3990 -1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 1.3057 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2457 -0.0791 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3363 -1.4854 -1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -2.1682 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8414 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 1.0456 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9496 -2.2368 -1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9989 -2.2774 1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2107 -3.7935 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 -4.9106 0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5301 -3.0041 2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -3.6554 2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 -4.6097 4.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3366 -6.7643 4.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 -6.3761 1.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4669 -8.6206 2.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -7.9754 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1483 -9.5192 2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 -10.4414 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -10.3622 -1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4324 -8.0740 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2072 -9.3114 -2.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -8.4949 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -7.2880 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 -6.3027 -2.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9535 -7.4543 -4.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 -4.4282 -3.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6128 -3.8737 -4.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5024 -2.0764 -3.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4281 -1.7226 -4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 -2.0738 -3.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7957 -0.4168 -6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 0.6504 -6.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 0.7100 -8.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1718 0.9984 -7.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 2.7156 -6.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6823 4.2147 -7.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8694 3.7699 -6.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 3.1025 -8.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8271 2.8886 -7.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0852 4.3797 -7.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3536 4.0037 -9.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 2.7065 -9.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6895 2.3865 -9.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4517 -3.4357 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8619 -2.3847 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -1.7916 2.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -1.5145 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6881 -0.0624 1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 0.4937 2.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7431 0.5229 -0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4514 1.8835 0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 1.5738 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -0.0189 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 1.7302 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 2.6416 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 0.7819 2.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 -0.1517 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1031 2.6008 3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 1.7368 2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 0.6122 4.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.1877 4.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 0.4311 6.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5463 1.2029 5.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 2.3854 6.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9722 2.5345 7.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0714 4.6274 6.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 3.9898 4.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6588 4.0240 1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 4.0663 2.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5998 6.6616 2.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 6.3518 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 5.5958 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 7.1788 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0299 6.0955 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5484 4.4909 1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1704 4.8763 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0286 6.6320 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4133 5.7506 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6294 4.4539 6.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7822 5.2813 4.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1387 6.1636 5.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3067 5.6756 7.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1662 3.9211 7.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 4.9377 7.6608 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 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 28 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 58 64 2 0 64 65 1 0 64 66 1 0 66 67 1 0 66 56 2 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 1 7 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 6 18 90 1 0 19 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 22 95 1 0 22 96 1 0 23 97 1 0 23 98 1 0 27 99 1 0 27100 1 0 28101 1 1 29102 1 0 29103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 38108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 40116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 59141 1 0 59142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 62147 1 0 62148 1 0 63149 1 0 63150 1 0 63151 1 0 65152 1 0 65153 1 0 65154 1 0 67155 1 0 67156 1 0 67157 1 0 M CHG 2 33 -1 37 1 M END