HMDB0008364 RDKit 3D PC(20:3(5Z,8Z,11Z)/16:0) 136135 0 0 0 0 0 0 0 0999 V2000 -7.8800 -3.6483 -1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 -4.3942 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3387 -4.0698 0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1341 -4.7862 1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 -4.4269 0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7177 -5.1635 0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 -5.0491 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9955 -5.3914 -0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5103 -4.5388 -1.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 -3.9333 -2.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -4.0085 -2.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -4.6430 -4.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -5.7451 -4.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3438 -6.4794 -2.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -6.8571 -2.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6144 -6.3896 -2.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 -5.4361 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4997 -5.8871 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 -4.7336 1.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5393 -3.6879 1.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -3.7285 0.5955 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6817 -2.5710 2.0542 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 -1.4110 2.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 -1.1209 2.9914 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7744 -1.1449 1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 -0.6033 2.5793 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -0.3895 1.6575 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8240 -1.5152 0.6763 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 1.1024 0.8419 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.0392 -0.4091 2.6825 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3516 0.9109 2.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 0.9627 3.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7368 0.3795 3.3121 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.5242 -0.4405 2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3617 -0.4314 4.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7047 1.4140 2.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 0.2917 3.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 0.6285 4.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.2613 5.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 2.1015 4.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2818 2.6680 4.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2004 4.1728 4.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3842 4.8233 3.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4318 4.4447 2.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 5.0609 1.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6892 4.6059 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 5.1295 -0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 4.6218 -1.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1081 5.0558 -2.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2353 6.5431 -2.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4825 6.8823 -3.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4814 6.2813 -4.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 6.6815 -5.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7872 6.0699 -7.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6160 -2.5877 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6931 -3.7689 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2203 -4.0591 -2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -4.0471 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8381 -5.4757 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2159 -4.4849 1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2983 -2.9565 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 -5.8787 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9287 -4.5731 2.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7846 -3.3393 0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1013 -4.8170 -0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0021 -6.2711 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7513 -4.9518 2.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6616 -5.7236 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 -4.0327 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 -5.5505 -0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4388 -6.4267 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 -4.4026 -2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1746 -3.3107 -3.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2742 -4.3167 -1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0988 -2.9187 -2.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -4.1726 -5.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 -6.1833 -5.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 -7.4871 -3.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -6.1024 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1431 -7.5992 -3.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6835 -6.7723 -2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 -4.6229 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 -4.8563 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 -6.4465 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7034 -6.6243 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5418 -4.1870 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7809 -5.0720 2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9831 -1.0050 3.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 -0.5924 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6359 -1.6956 3.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -0.5821 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 -2.1894 1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 1.3303 3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 1.4814 2.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7536 2.0447 4.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2751 0.4962 4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5237 -0.5321 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1093 -1.4270 2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9067 0.1483 1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3499 0.1728 5.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4097 -0.6371 4.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7877 -1.3701 4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1472 2.2696 2.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3517 0.9825 2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3015 1.7391 3.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 2.1962 6.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4595 2.6012 4.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0915 2.4024 3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 2.2712 5.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7123 4.5250 4.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1308 4.4413 5.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 4.6159 4.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 5.9151 3.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 3.3656 2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 4.8747 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5555 4.6481 2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 6.1544 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 4.9479 -0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 3.5054 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 4.7445 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 6.2310 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 4.9509 -2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 3.5093 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9676 4.6585 -3.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0139 4.5755 -2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2479 7.0077 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3479 6.9385 -3.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 7.9849 -3.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3801 6.5482 -2.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 5.1621 -4.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6201 6.5843 -5.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6537 6.3922 -5.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7634 7.7806 -5.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 4.9534 -6.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6654 6.3712 -7.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 6.2629 -7.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 1 25 91 1 0 25 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 36105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M CHG 2 29 -1 33 1 M END