HMDB0009202 RDKit 3D PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) 123122 0 0 0 0 0 0 0 0999 V2000 13.5457 2.7219 -2.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6627 1.4900 -2.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4909 0.3015 -2.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1985 -0.6622 -1.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0722 -0.8831 -0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9346 -0.0240 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5722 0.6296 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2525 0.5903 1.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7306 0.1052 3.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6145 -0.4456 3.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5216 -0.7199 2.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2032 -2.2017 2.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0276 -2.6037 2.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9099 -1.7323 3.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.0434 2.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3937 -1.6834 0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4579 -1.9577 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1146 -3.4319 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 -3.7749 -1.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9168 -3.0766 -1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -3.6908 -0.7817 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5999 -1.8332 -1.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 -1.2607 -1.6945 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3457 -0.9299 -2.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 -0.4496 -2.7878 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6402 -1.2073 -2.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 -2.3811 -1.8277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0597 -0.7212 -1.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -0.7190 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 -0.3945 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3262 0.9109 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6114 1.3482 -1.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8212 1.5495 -2.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0322 1.3321 -1.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8229 0.2789 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1092 -0.8950 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6681 -1.3009 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6129 -1.5473 0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8971 -1.4008 0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8080 -0.9547 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6143 0.2506 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6203 1.0986 1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8065 1.0934 2.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7515 0.9799 3.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4223 -0.0239 -0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 0.5731 -0.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 1.9370 0.4123 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7299 1.4670 1.8495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9162 2.5717 0.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 3.0898 0.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 4.3636 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5108 5.3743 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 5.3961 -1.1802 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5082 2.7682 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1486 3.6175 -2.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5824 2.4497 -2.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5099 1.6524 -3.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7679 1.6351 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4728 0.2540 -2.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9981 -1.4846 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4622 -1.2434 0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6193 -1.9069 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2878 0.0711 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6653 1.2873 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3136 0.1645 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5853 1.7001 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4809 0.2375 3.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4645 -0.7255 4.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9446 -0.6326 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6469 -0.1035 2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0061 -2.9198 2.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8237 -3.7033 2.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0456 -0.6761 3.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4358 -2.0891 4.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8939 -1.4859 2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5582 -3.1158 2.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 -0.5891 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3501 -2.1818 0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9906 -1.6945 -1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5558 -1.3339 -0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9994 -4.0694 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 -3.6498 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0224 -4.8757 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 -3.5248 -2.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2871 -2.0095 -1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 -1.8129 -3.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2151 -0.0804 -3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7283 -1.4562 -2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1566 0.2608 -2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6428 0.0551 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9678 -1.6787 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4031 -1.2077 -0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7446 -0.5748 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1692 1.0348 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5726 1.7054 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8090 1.5832 -2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9268 1.8904 -3.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6515 2.3027 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8841 1.1219 -0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1778 0.5239 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6784 -1.6363 -2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8039 -0.6829 0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0967 -2.3214 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1225 -1.9325 1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3705 -1.7252 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6336 -1.7873 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4228 -0.9106 -1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3519 0.4639 -0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3662 1.9543 0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9935 0.4212 2.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4097 2.1829 2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6610 1.5408 3.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9696 -0.0998 3.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3043 1.4492 4.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1693 0.6707 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 -0.3996 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 2.2420 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 4.6643 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 4.3681 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4061 5.1947 0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 6.4013 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9042 5.2959 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3289 4.6536 -1.6831 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 1 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 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 23 85 1 1 24 86 1 0 24 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 49117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 M END