HMDB0293007 RDKit 3D CDP-DG(a-17:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 151152 0 0 0 0 0 0 0 0999 V2000 -4.0921 -6.9506 1.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1643 -5.8561 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -4.5451 1.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -4.3685 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -3.3707 2.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3197 -3.2025 3.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 -2.0428 4.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5853 -0.7713 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6619 0.4746 4.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5472 0.9506 5.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2759 1.3342 4.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 0.3719 3.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -0.7570 4.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 -0.3002 5.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.5223 6.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 -2.5352 5.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 -2.1782 4.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -2.8908 3.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2777 -1.1057 5.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -0.6610 4.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 -0.1440 3.0172 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7436 1.2363 2.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 1.3160 3.2444 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9058 2.9572 3.1507 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8885 3.2668 4.1948 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3086 3.8947 3.3635 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 3.2149 1.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 4.4950 0.8201 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8684 4.0204 -0.3672 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 5.4311 1.8252 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8381 5.5129 0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 4.9170 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1122 5.8365 -1.4107 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5193 5.2722 -2.4858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 5.8335 -2.5764 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7157 4.8482 -3.0929 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0025 3.7320 -2.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8822 2.7841 -2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 2.9532 -4.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 1.9648 -4.5591 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1839 4.0684 -4.7609 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3248 4.9781 -4.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0916 6.0032 -4.9876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1967 6.2147 -1.1755 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5763 7.5527 -1.0736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 5.9781 -0.3522 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6824 7.0601 0.4629 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6805 -1.0590 2.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3053 -1.6212 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4592 -1.2937 0.7528 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5451 -2.6061 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 -2.9703 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1782 -1.9523 -2.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9279 -0.7409 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3956 0.4520 -1.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 0.6961 -2.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7585 1.5439 -3.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0843 1.2535 -4.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3976 -0.0409 -4.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9134 -0.8113 -5.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -1.1390 -6.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6941 -0.8626 -6.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.1620 -6.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -2.5230 -6.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 -1.7103 -4.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3664 -2.1645 -4.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 -1.3115 -3.0331 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0125 -1.5655 -1.9394 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2435 -1.6725 -2.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7649 -0.8367 -1.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -7.2045 0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5684 -6.6597 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 -7.8857 1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2474 -5.8928 2.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 -6.0708 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2567 -4.6160 0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4781 -4.4553 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7412 -3.3428 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3581 -5.1457 0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6797 -2.4817 1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4381 -3.5476 2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3915 -3.1303 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 -4.1712 3.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6955 -2.0334 5.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4188 -2.2424 4.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6435 -0.8931 2.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9627 -0.7717 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6191 0.4112 4.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9119 1.2959 3.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3345 0.2910 5.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9342 1.8929 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 1.8907 5.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 2.1850 3.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 0.9890 3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 0.0969 2.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4905 -1.4929 4.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -1.3145 3.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4993 0.2562 6.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8558 0.4093 5.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -1.2513 7.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 -2.0189 6.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 -3.0864 4.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 -3.3650 6.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1907 -1.4992 4.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8455 0.1975 5.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4009 -0.0211 2.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3635 1.8573 3.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9249 1.6405 1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0356 3.6096 2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 5.9693 2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 3.9704 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9485 4.6840 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 6.8079 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 6.7356 -3.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5112 3.6090 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1123 1.8999 -2.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0705 1.5448 -3.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3963 1.6432 -5.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0369 5.5929 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 8.0702 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 5.0437 0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3855 7.1798 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 -2.3702 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 -3.5462 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 -3.9068 -1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -3.3821 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1391 -1.8177 -2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -2.5062 -2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0364 -0.7431 -1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0114 1.3698 -1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6907 1.4178 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2839 -0.1244 -1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2272 2.5707 -3.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 1.9493 -5.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 0.0798 -4.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 -0.6494 -3.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9841 -1.0670 -5.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 -1.7152 -7.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 -0.2221 -6.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5528 -0.3801 -7.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 -2.8558 -7.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 -3.5090 -6.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9896 -0.7523 -4.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 -3.1323 -4.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8156 -0.2367 -3.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4802 -1.5419 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 -1.4796 -3.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3294 -2.7583 -2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -0.1867 -1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1945 -1.5284 -0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6390 -0.2087 -1.8500 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 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 24 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 42 1 0 42 43 2 0 35 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 21 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 46 33 1 0 42 36 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 4 79 1 0 5 80 1 0 5 81 1 0 6 82 1 0 6 83 1 0 7 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 9 89 1 0 10 90 1 0 10 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 12 95 1 0 13 96 1 0 13 97 1 0 14 98 1 0 14 99 1 0 15100 1 0 15101 1 0 16102 1 0 16103 1 0 20104 1 0 20105 1 0 21106 1 6 22107 1 0 22108 1 0 26109 1 0 30110 1 0 32111 1 0 32112 1 0 33113 1 6 35114 1 6 37115 1 0 38116 1 0 40117 1 0 40118 1 0 44119 1 1 45120 1 0 46121 1 1 47122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 58134 1 0 59135 1 0 59136 1 0 60137 1 0 61138 1 0 62139 1 0 62140 1 0 63141 1 0 64142 1 0 65143 1 0 66144 1 0 67145 1 6 68146 1 0 69147 1 0 69148 1 0 70149 1 0 70150 1 0 70151 1 0 M END