HMDB0261985 RDKit 3D PE(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/20:1(11Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -7.9484 0.0914 1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1245 -1.0879 1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9053 -0.6260 2.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7061 -0.9525 2.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4147 -1.7862 0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2266 -2.5136 1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1776 -1.0233 -0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0367 -0.0892 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9826 -0.2682 -1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8475 0.6259 -0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2441 0.5906 -1.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 -0.4328 -2.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7265 0.1714 -4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8299 -0.0576 -4.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9323 -0.9102 -4.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 -2.0556 -5.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 -3.2815 -4.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -3.6786 -3.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8808 -4.5996 -2.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 -4.0956 -2.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -2.9223 -2.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 -1.7898 -2.6456 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9146 -2.9773 -0.7543 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -1.9234 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3909 -2.5214 1.4803 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2485 -3.7754 1.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5431 -3.3702 1.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5682 -4.7157 0.8681 P 0 0 0 0 0 5 0 0 0 0 0 0 9.4966 -5.5193 2.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1571 -4.2386 0.6211 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0713 -5.6751 -0.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0203 -7.0197 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5583 -7.7744 -1.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2557 -7.3155 -1.7505 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0555 -2.8505 1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -2.4593 2.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8855 -1.7737 3.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9024 -2.9180 2.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 -1.8817 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 -0.5263 2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 0.5332 1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 1.8916 2.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 2.9759 1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5954 4.3425 2.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 4.4055 3.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 4.1250 2.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 4.2237 3.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 5.0542 3.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1233 6.0383 2.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 5.7818 2.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 4.4233 1.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8503 4.0885 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1600 5.0583 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4001 4.7918 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6964 4.7905 -0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9010 3.7579 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4254 0.5075 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0009 0.8831 1.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9889 -0.2134 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7717 -1.6417 2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9132 -1.7986 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0199 0.0204 3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8622 -0.5575 2.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -2.5895 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -1.8205 1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0535 -1.6952 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 -0.4124 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 0.7238 0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9847 -1.0697 -1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9241 1.4390 -0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 1.3438 -1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4919 -1.0085 -2.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 -1.1935 -2.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 0.8211 -4.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.4058 -5.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8678 -0.2606 -4.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -1.0858 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3743 -1.7660 -6.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 -4.0843 -5.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 -2.9290 -2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 -4.3255 -3.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -4.9688 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8414 -5.5533 -3.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4968 -3.8348 -3.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0146 -4.9144 -2.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6142 -1.0904 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -1.5178 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -1.8576 2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2370 -4.3504 2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7940 -4.3816 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8288 -4.8731 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0229 -7.4487 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -7.1498 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5033 -8.8571 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2707 -7.5715 -2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2808 -6.9348 -2.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 -6.6545 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -2.8774 3.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 -3.8968 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 -2.1504 1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8258 -1.8965 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9774 -0.4507 3.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5359 -0.3406 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4622 0.5189 0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 0.3340 1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0641 2.0220 2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.8737 3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5869 2.7524 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 2.9571 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6221 4.6044 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 5.0782 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8545 3.6890 3.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 5.4243 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 4.7550 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 3.0436 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 3.5451 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 5.0029 4.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1081 7.0936 3.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 6.0593 1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7614 6.6049 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 5.7622 3.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2468 3.6413 2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7189 4.3667 0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 3.0739 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6090 4.2097 1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2183 6.0876 0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2873 5.0781 -0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3134 3.7934 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4865 5.5638 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5175 4.7242 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8433 5.7843 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9141 4.1740 1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1929 2.9133 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9630 3.3594 0.6661 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 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 2 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 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 4 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 1 26 89 1 0 26 90 1 0 30 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M END