HMDB0113003 RDKit 3D PE-NMe(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 114113 0 0 0 0 0 0 0 0999 V2000 -12.1420 0.4192 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7061 -0.9591 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3016 -1.7665 0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1166 -2.2973 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0095 -2.1291 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6254 -3.4851 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4376 -3.9739 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 -3.2527 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2532 -3.1461 -0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7338 -2.0226 -0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1474 -0.7269 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1478 0.1367 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 -0.0592 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1058 -1.2386 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 -1.1207 -0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 -0.6743 -2.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 0.6943 -2.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 1.7681 -1.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 2.3161 -2.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 2.2091 -0.6106 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0816 3.2407 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 2.8560 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 1.7984 0.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7918 1.7977 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8594 2.8350 -1.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 0.6951 -0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -0.4509 0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 -1.5196 -0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6499 -2.6944 0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6127 -3.7356 0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0023 -3.2016 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9898 -4.2550 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3153 -3.6266 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3172 -4.0966 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2391 -5.2280 1.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1044 -6.3853 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5660 -6.1474 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1153 -5.2067 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 4.3729 0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6328 4.8562 -0.6721 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 6.1109 -0.1216 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4637 5.5178 1.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6531 6.6814 -1.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 7.3749 0.5369 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 8.5072 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 9.6967 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6322 9.9787 1.6436 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9817 10.4623 1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3325 0.8107 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0332 0.2714 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4232 1.0955 -0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6718 -1.3566 -0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9687 -0.7407 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0354 -1.9708 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8935 -2.8873 2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1658 -1.5873 0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3203 -1.5378 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4383 -4.0851 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2831 -5.0113 -0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5596 -2.3991 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8464 -3.9781 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8935 -4.1292 -0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9509 -2.1177 -1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5741 -0.0778 -1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0259 -0.7599 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5066 1.1679 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3552 0.7891 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6463 -2.1818 0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5675 -1.4466 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 -0.5731 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.1762 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -1.3949 -2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 -0.8200 -2.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 0.7902 -3.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 0.9022 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 3.6542 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6331 3.7456 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 2.6831 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 1.0942 -0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 0.3198 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 -0.8833 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -0.1235 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6577 -1.0295 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4014 -1.8342 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6148 -3.0898 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 -2.4011 1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -4.0991 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5631 -4.5870 0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0604 -2.3845 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3528 -2.7812 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7168 -4.4830 -1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8872 -5.1931 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -2.7388 -1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2642 -3.5266 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -5.5507 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6402 -4.8543 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7324 -6.7889 -0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8688 -7.2065 1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9208 -5.7743 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0779 -7.1541 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0639 -5.7037 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4279 -4.2173 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4007 -5.0706 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 5.1938 0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4418 3.9905 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2096 7.1580 -2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9774 8.7825 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5195 8.3283 -1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3802 10.5997 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 9.5158 0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 9.1157 2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0373 11.4330 2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6765 9.7123 2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 10.6271 0.5333 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 2 0 18 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 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 21 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 41 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 0 22 77 1 0 22 78 1 0 26 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 28 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 43106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 48112 1 0 48113 1 0 48114 1 0 M END