HMDB0288447 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/22:5(7Z,10Z,13Z,16Z,19Z)) 141140 0 0 0 0 0 0 0 0999 V2000 3.0037 -3.4184 5.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1317 -2.4371 4.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -2.3805 4.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 -2.7142 2.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -3.1822 1.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -4.5406 1.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9971 -4.8252 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -3.8871 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5724 -3.9312 -1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8204 -4.2773 -2.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8654 -4.6522 -3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 -6.0000 -4.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4529 -7.0316 -4.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 -7.1814 -3.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2103 -6.1593 -3.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5544 -6.1393 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 -7.2069 -1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3088 -7.8350 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 -7.1007 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2514 -5.8154 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 -5.3669 0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9277 -4.0617 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6575 -4.0172 -1.2264 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 -2.9017 0.4273 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -1.6730 -0.1086 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8686 -0.7997 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1778 0.4280 -1.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 0.5176 -2.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1247 -0.5244 -2.8341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 1.8233 -2.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 2.2119 -3.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 2.3565 -2.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4028 2.7172 -3.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 3.8080 -3.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 4.8263 -2.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9622 5.0589 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 4.9048 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7245 4.4686 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 5.4969 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 6.0254 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 5.6798 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1309 5.2057 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 5.7689 0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5795 6.9064 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8073 7.4057 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0941 8.5801 -0.6872 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1081 8.1465 -2.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4404 9.1702 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5556 8.1916 -0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8721 -1.0388 1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4166 0.1723 0.6426 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 0.7471 1.9788 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.4526 1.6016 1.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8836 -0.6075 2.8246 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1850 1.5289 2.9945 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 2.6125 3.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 3.2229 4.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 4.3506 5.2942 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6115 5.4489 4.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9768 4.8632 6.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1293 4.0169 6.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 -3.5296 6.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 -3.0448 6.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6605 -4.3971 5.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -2.7446 3.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -1.4368 4.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 -2.0370 4.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 -2.6410 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1945 -2.4132 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -3.1690 2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 -5.3045 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 -5.8670 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 -4.0155 -1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9788 -2.8384 -0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3314 -3.6712 -0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8866 -4.3051 -2.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2002 -3.9739 -4.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8599 -4.3547 -3.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2857 -6.1001 -4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9825 -7.9892 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 -8.0776 -3.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5353 -7.7076 -4.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -5.2891 -3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 -5.2433 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8984 -6.6730 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 -7.9912 -1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 -8.1458 -1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -8.8127 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -7.0346 0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6623 -7.7997 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 -5.0205 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -5.8266 -1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 -5.2513 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -6.1095 0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6644 -1.8018 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 -0.5785 0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1822 -1.4185 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 2.6159 -2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0835 1.6910 -3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 1.4033 -4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2803 3.1271 -4.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 2.9944 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 1.3224 -2.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 1.9798 -4.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9561 3.9767 -4.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9158 4.6928 -2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 5.8114 -3.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 5.3972 -2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 5.1153 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9687 4.0596 -0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 3.6114 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9897 5.8558 2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1796 6.8018 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2162 6.5818 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 4.8587 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 4.3365 1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1067 5.3315 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 7.3611 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6054 7.0029 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 9.3407 -0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2371 7.1746 -2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5868 10.0477 -1.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4526 9.4569 0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7512 7.5950 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3368 7.5459 -1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4684 8.7721 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 -0.8321 1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6923 -1.7104 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1459 3.2933 2.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 2.2403 4.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 2.4357 5.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8045 3.5050 3.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8042 5.8227 3.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 6.2806 5.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 5.2701 3.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 4.7902 5.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 5.9172 6.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 4.2259 6.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 4.9955 6.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7028 3.4369 7.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0257 3.5320 5.8504 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 1 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 6 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 43117 1 0 44118 1 0 45119 1 0 46120 1 6 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 M CHG 2 54 -1 58 1 M END