HMDB0009824 RDKit 3D PI(18:1(11Z)/18:1(11Z)) 142142 0 0 0 0 0 0 0 0999 V2000 2.6256 1.3158 -7.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 0.5814 -8.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 -0.6858 -8.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -0.4028 -6.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 -1.7138 -6.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9031 -1.5241 -4.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 -0.8620 -3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 0.2772 -3.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6737 1.0418 -3.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 1.2317 -2.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8528 2.0224 -2.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 3.4237 -3.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9443 4.1850 -2.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6672 5.6318 -2.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 5.8610 -3.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 5.3382 -3.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 5.8325 -2.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 5.6646 -1.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 6.6962 -0.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 4.4233 -0.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 4.3640 0.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0277 2.9815 1.2468 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4015 2.3293 1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 3.2096 1.5491 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 2.6233 1.3634 P 0 0 0 0 0 5 0 0 0 0 0 0 4.8240 3.8212 1.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 1.7556 2.7178 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9557 1.7332 -0.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 1.0916 -0.2829 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8266 -0.3743 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6895 -0.3961 -1.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9403 -1.1911 -1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 -1.9604 -2.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -0.4228 -1.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0351 -0.2422 -0.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 0.9116 -2.0920 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7909 0.7922 -3.5039 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5996 1.5653 -1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 2.9494 -1.6608 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9328 2.0991 0.7109 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7568 1.3410 1.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5515 1.5055 2.7971 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7947 0.4109 1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -0.3704 2.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3899 -1.3345 1.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -2.3924 0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9784 -3.3121 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0517 -4.1244 2.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 -5.0136 2.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2693 -5.8377 3.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2354 -5.0459 5.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2501 -6.0125 6.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 -6.1486 7.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 -5.3107 7.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 -4.4826 8.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6617 -3.6718 8.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6562 -2.7044 7.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6553 -1.9180 7.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -1.1423 8.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 0.5415 -7.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 1.7574 -6.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1753 2.1083 -8.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 0.3413 -9.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8592 1.2191 -8.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 -1.4355 -7.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -1.1204 -8.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9926 0.1789 -6.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 0.1766 -7.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 -2.3655 -6.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 -2.2181 -6.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 -2.6046 -4.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 -1.1458 -5.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 -1.3876 -3.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1654 0.6559 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2532 0.6431 -4.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 2.0786 -4.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 1.6389 -1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9548 0.2053 -2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 2.1010 -2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4592 1.4397 -3.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5964 3.8925 -3.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0422 3.4923 -4.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6653 4.1815 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0346 3.6952 -1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 6.0767 -2.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 6.1376 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 5.5829 -4.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 6.9936 -3.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0617 5.5798 -4.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 4.2137 -3.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 5.2589 -2.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8844 6.8946 -2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 4.7413 0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 5.0117 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0729 2.9951 2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 2.0422 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3904 1.4183 1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 0.9057 2.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 1.2560 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4886 -0.7395 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -0.9237 -2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2514 -1.9112 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1677 -2.8656 -1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6718 -1.0359 -2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6313 -0.5759 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 1.6271 -1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6334 1.0422 -3.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 1.2734 -2.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6985 3.1767 -1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3882 -0.1988 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 0.9725 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4348 -0.9090 2.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6713 0.3582 3.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6691 -1.8130 2.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3156 -0.7525 1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 -2.8866 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8168 -1.8512 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 -2.6802 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7483 -3.9751 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1115 -4.7058 2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0477 -3.4546 3.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2051 -4.4736 2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1671 -5.7518 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1909 -6.4571 3.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3621 -6.4797 3.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4782 -4.2800 5.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2218 -4.4906 5.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -6.6696 6.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -6.8913 7.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2271 -6.0677 7.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9012 -4.7654 6.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8012 -3.8409 8.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7402 -5.2239 9.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2316 -4.3337 8.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 -3.0607 9.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 -3.1550 6.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4393 -1.9336 7.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.6530 6.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5708 -1.2042 6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1316 -0.7156 8.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3057 -1.7919 9.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 -0.3542 8.1182 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 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 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 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 22 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 38 29 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 29 99 1 1 30100 1 0 31101 1 0 32102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 6 37107 1 0 38108 1 0 39109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 59142 1 0 M END