HMDB0287702 RDKit 3D PC(20:3(8Z,11Z,14Z)-2OH(5,6)/20:5(5Z,8Z,11Z,14Z,17Z)) 140139 0 0 0 0 0 0 0 0999 V2000 -2.2002 6.3557 1.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 7.2159 1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4399 8.6185 1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 9.3927 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 9.0062 -1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 9.2357 -1.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 8.3305 -2.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7178 6.9057 -2.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 6.6518 -4.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8007 5.8593 -5.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9622 4.9442 -4.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4165 3.5974 -5.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4623 2.5259 -4.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 2.4416 -3.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1721 1.3743 -3.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2464 0.2601 -2.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 -0.1253 -1.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2145 -0.4882 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5778 -0.8385 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6129 -1.9423 0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6586 -1.9511 -0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6717 -2.9880 1.6758 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -4.0485 1.8389 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2384 -5.3253 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0368 -5.1033 -0.3017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 -5.1174 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 -5.3768 0.2273 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 -4.8485 -2.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1437 -5.2456 -2.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2324 -4.6574 -1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 -5.0909 -2.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 -4.6118 -3.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 -4.7350 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 -5.3830 0.0786 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7342 -3.2066 -0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -2.9144 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7705 -1.9994 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6203 -1.2256 -1.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.2340 -1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6477 1.0208 -1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3231 0.5650 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 1.2379 -2.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 1.8614 -2.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8065 1.9417 -1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.2186 -1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 1.3183 0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 2.6940 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 2.5465 1.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2955 -4.2665 3.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4464 -5.3677 3.2327 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -5.6180 4.7681 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6570 -6.5598 5.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -4.1446 5.6267 O 0 0 0 0 0 1 0 0 0 0 0 0 0.7644 -6.3095 4.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 -5.7173 5.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 -6.4491 5.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -5.9367 5.9674 N 0 0 0 0 0 4 0 0 0 0 0 0 3.8424 -5.8704 7.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6142 -4.6550 5.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 -6.9022 5.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 5.3979 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9645 6.1960 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6635 6.8712 2.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 6.8137 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1804 6.9526 1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6529 9.0071 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8327 10.4400 0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4652 9.7591 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 8.0043 -1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9578 10.2541 -2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0508 8.6006 -3.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8902 6.6955 -2.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5592 6.2430 -2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 7.2838 -4.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 5.8089 -6.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3795 4.9633 -3.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7625 5.1930 -5.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 3.4843 -6.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9834 1.5803 -4.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 2.2777 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 3.3454 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8871 1.6696 -4.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0225 -0.4674 -3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6604 0.6566 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7383 -1.0332 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9857 0.3111 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8499 -1.3734 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 -1.0247 1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1023 0.1109 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8847 -3.7555 1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2413 -5.6646 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5209 -6.1097 1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 -3.7332 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0062 -5.2690 -2.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3213 -4.9012 -3.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -6.3617 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 -4.9249 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 -3.5547 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 -6.2078 -2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 -3.6247 -3.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6946 -4.9980 -1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 -4.7646 0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -2.7486 -1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 -3.0531 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9935 -3.4706 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 -1.7965 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9196 -1.4987 -2.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6467 -1.3678 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6395 0.6709 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7825 2.0971 -1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2935 -0.5591 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 0.6703 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 1.2548 -3.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 2.3524 -3.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5161 3.0599 -1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 1.7269 -0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 0.1676 -1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 1.5979 -2.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 0.6646 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2752 0.9612 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1006 3.2934 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 3.2980 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2853 2.7961 2.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 3.2916 2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4427 1.5337 2.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1043 -4.4662 3.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 -3.3477 3.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8761 -4.6176 5.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4735 -5.7985 6.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2836 -6.3929 4.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 -7.5147 5.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 -6.2345 7.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 -4.8256 7.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 -6.5355 7.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4899 -4.3884 6.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8307 -3.8570 5.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0165 -4.7835 4.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 -7.0696 4.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1518 -6.5077 6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 -7.8491 6.2269 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 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 1 0 31 33 1 0 33 34 1 0 33 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 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 6 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 34102 1 0 35103 1 0 35104 1 0 36105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 53 -1 57 1 M END