HMDB0013531 RDKit 3D PGP(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -7.0369 -5.0979 -1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4601 -4.8924 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4866 -5.6139 1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7298 -5.0417 2.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7514 -3.6026 2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4385 -2.9552 2.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 -2.3536 3.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 -2.2354 4.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4294 -0.7974 4.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 -0.2548 5.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8478 -0.8845 6.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 -0.4986 6.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8072 0.2986 5.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2952 1.0557 4.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 0.8425 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0492 -0.0402 2.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6457 -1.0787 3.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 -2.4738 3.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -3.3233 2.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 -3.0046 2.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -3.3757 1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -2.8552 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 -3.6438 -0.7158 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -1.5358 -0.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6739 -1.1612 -1.5740 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7197 -0.6257 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0411 -0.2954 -3.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6602 0.2269 -4.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9061 0.4281 -4.8063 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 0.5397 -6.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5876 1.9624 -6.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 2.8922 -6.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3489 4.2910 -6.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 4.8809 -5.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 4.9819 -4.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9253 5.6105 -3.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3398 5.8336 -2.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7314 4.5788 -1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1102 4.9400 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 4.7168 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4065 4.0666 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8581 2.7804 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3203 3.1179 1.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 1.9533 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9644 1.2203 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3886 0.0603 3.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 -0.2102 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -0.7089 -0.6868 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 0.4826 -0.6165 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8131 0.0596 0.3311 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 1.9620 -0.1662 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 0.6400 -2.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6979 -0.6100 -2.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2888 -0.4758 -4.0773 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3605 0.1516 -4.8796 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7063 -1.8066 -4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6207 -2.6756 -4.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -4.1716 -5.3718 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3857 -3.9473 -6.1468 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 -4.8136 -6.3776 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3796 -5.2693 -4.0902 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8766 -4.9239 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2259 -4.3836 -1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6944 -6.1366 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4231 -5.5027 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7145 -3.8827 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3802 -6.7132 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9982 -5.6332 2.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 -3.3624 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4727 -3.1168 1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0174 -2.9978 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 -1.8922 2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5406 -2.7798 5.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2431 -2.7060 4.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 -0.2087 4.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 0.8199 5.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1835 -0.6382 7.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8524 -2.0122 6.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7726 -0.9666 7.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 0.4735 6.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3899 1.3186 4.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 2.1525 4.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2712 1.5445 2.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1857 -0.0176 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 -0.8918 3.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 -1.0793 4.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 -2.7801 3.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 -4.3310 2.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 -3.6954 3.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9011 -1.9844 2.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0773 -4.5338 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 -3.1236 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 -2.0809 -2.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 0.2865 -2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 -1.3913 -2.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 0.2192 -6.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 -0.0961 -6.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8185 2.3426 -5.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1049 2.0177 -7.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 2.5839 -7.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3411 2.8994 -5.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2486 4.9413 -6.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 4.2279 -7.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 5.9473 -6.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4579 4.3133 -5.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1835 3.9683 -3.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9037 5.6032 -4.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 4.9267 -3.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 6.5753 -3.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 6.3040 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1791 6.5727 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4538 4.0378 -1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 3.9385 -1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 5.4263 0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 5.0371 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2753 3.9145 -1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 4.7970 -0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6305 2.3328 -0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9396 2.1657 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0804 3.9387 1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 3.5439 2.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 1.2767 3.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1836 2.3818 3.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 0.8132 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 1.8656 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5733 -0.1892 3.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5949 -0.8143 2.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3033 0.3339 3.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1419 0.1509 -2.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 0.7306 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2502 1.8811 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4277 -1.0927 -1.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 -1.2558 -2.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 0.1631 -3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 1.0179 -4.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5132 -2.2505 -4.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1296 -1.6496 -5.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0199 -4.3870 -6.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 -5.3000 -3.5356 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 30 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 1 0 38 39 1 0 39 40 2 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 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 6 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 51131 1 0 53132 1 0 53133 1 0 54134 1 1 55135 1 0 56136 1 0 56137 1 0 60138 1 0 61139 1 0 M END