HMDB0262139 RDKit 3D PE(20:4(5Z,8Z,11Z,14Z)-OH(19S)/20:3(5Z,8Z,11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -14.9087 -0.1949 -1.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2953 0.1919 -1.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7359 1.5824 -1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0089 2.6860 -2.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6086 2.9340 -1.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4544 3.3367 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0382 3.6648 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0620 2.5161 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2978 1.5625 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5462 1.1920 1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2008 1.6432 2.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6410 2.6657 1.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5717 2.4941 0.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7072 1.3806 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8472 0.0987 1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0080 -0.4513 2.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 0.2403 2.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5446 -0.5575 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2879 0.2022 2.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0485 -0.5418 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -1.7018 2.6435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 0.0034 1.3733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 -0.6722 1.0309 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3068 0.0423 1.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -0.4980 1.3305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -0.5202 0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9077 0.0795 -0.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6356 -1.2533 0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3699 -2.6693 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6526 -3.4962 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6362 -2.9943 -1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8328 -2.5742 -0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3168 -2.5728 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6568 -1.1592 0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8331 -0.7833 1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9707 -1.7015 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4080 -1.5184 2.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5942 -1.1146 3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6429 -0.7873 2.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1047 0.6120 2.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0368 1.5142 1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5006 1.2262 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2795 1.2691 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9280 2.4113 -1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9978 3.1574 -1.1362 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5429 4.2718 -2.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5563 3.8019 0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2263 -0.9786 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 -1.7599 -0.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 -2.0938 -2.4817 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4874 -1.3908 -3.0109 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1306 -1.4450 -3.2522 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 -3.7593 -2.6886 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -4.0766 -3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -5.5595 -3.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1638 -5.9965 -4.2932 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2216 -0.1506 -2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8994 -1.2783 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4809 0.3694 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0168 -0.5110 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4434 0.0186 -3.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7739 1.7149 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8374 1.7016 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5713 3.6469 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9834 2.5565 -3.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9157 2.1422 -2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2097 3.8477 -2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7456 2.4988 0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1009 4.2274 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7378 4.4350 -0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9315 4.2158 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3611 1.8809 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0709 2.8079 -0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3085 1.0610 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9964 0.3986 2.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3791 2.1114 3.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6025 0.7361 2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1470 3.6998 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2694 3.4076 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7214 1.1779 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6310 1.7881 0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7087 -0.5436 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1907 -1.4707 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6329 1.2572 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 0.3036 3.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -1.4870 2.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 -0.8337 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3884 0.3447 3.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2426 1.1929 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0598 -1.6495 1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 1.1080 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1622 0.1982 2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1127 -1.1537 1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2344 -0.7350 -0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 -3.1660 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9175 -2.6889 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9718 -3.7095 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3487 -4.5321 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3318 -2.9722 -2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5448 -2.2085 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2203 -3.1930 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5712 -2.9652 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8430 -0.3909 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9600 0.3128 1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6096 -2.7756 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7737 -1.5898 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6660 -1.7447 3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8541 -1.0023 4.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5632 -1.3903 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5118 -1.1324 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5290 0.8963 3.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3898 2.5244 1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8101 0.3135 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6550 2.0396 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5858 0.7767 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0933 0.4350 -1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1520 3.1338 -2.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3959 2.0329 -2.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8741 2.5461 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1980 3.8395 -2.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6451 4.7744 -2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1226 5.0108 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7822 4.7599 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -1.6670 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2848 -0.1613 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -1.9105 -4.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3695 -3.7789 -2.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 -3.5320 -4.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5618 -6.0804 -2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8004 -5.7793 -3.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7432 -5.2065 -4.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 -6.8122 -3.9612 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 1 24 91 1 0 24 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 1 46120 1 0 46121 1 0 46122 1 0 47123 1 0 48124 1 0 48125 1 0 52126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 M END