HMDB0102407 RDKit 3D TG(a-15:0/18:0/15:0)[rac] 155154 0 0 0 0 0 0 0 0999 V2000 10.4950 3.7593 1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7566 3.9309 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2444 5.3396 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4797 5.6291 -1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2802 4.7196 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5882 5.0879 -2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3698 4.2336 -3.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 4.6588 -4.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5101 3.8443 -4.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 3.9665 -3.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 5.3905 -3.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8944 5.3544 -2.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 6.6765 -2.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7541 6.4162 -0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4851 7.6469 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4813 7.4380 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0314 7.0323 1.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2913 5.8012 2.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 5.8578 2.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7553 4.5228 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 3.3513 2.0054 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6479 2.6035 0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6113 2.1426 -0.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 1.2480 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 0.6625 1.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4806 1.0338 -1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5661 0.0355 -0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3421 -0.0639 -2.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4441 -0.5212 -3.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8536 -1.8684 -3.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 -2.2639 -4.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 -3.6471 -3.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -4.1783 -4.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2719 -3.2736 -5.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5955 -3.9175 -6.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8341 -3.0477 -6.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 -3.7191 -7.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -2.8695 -7.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -2.7532 -6.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4587 2.5160 3.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 1.3386 3.3593 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 1.2192 3.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 2.3041 3.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2508 -0.0806 3.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -1.1767 4.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -1.5597 3.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4805 -2.7053 4.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6899 -3.2130 3.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3105 -4.3423 4.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 -3.9182 5.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3595 -5.0358 6.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 -6.2157 6.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1666 -7.2725 7.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2902 -8.4757 7.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8426 -9.1384 6.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 -9.4760 8.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2955 -9.8914 7.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5790 3.7018 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1765 2.8028 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2662 4.5553 2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4786 3.7846 -0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9206 3.2124 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1288 6.0123 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 5.5846 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1391 5.6359 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0818 6.6688 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6563 3.6732 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6264 4.8745 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3084 4.9722 -3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2573 6.1403 -2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 3.1833 -3.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 4.2664 -2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4874 4.4207 -5.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 5.7378 -4.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8214 2.7817 -4.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 4.1152 -5.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6132 3.2885 -3.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 3.5385 -2.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 6.1031 -3.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4396 5.6653 -4.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0825 4.6776 -2.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2645 4.9231 -1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9527 7.4802 -1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 6.9928 -2.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1622 6.0023 -0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 5.7049 -1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9494 8.0675 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 8.4732 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 8.3924 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 6.6482 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 7.1015 2.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3809 7.8829 2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 3.7703 2.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0312 1.7187 1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 3.2386 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9007 1.9843 -1.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.6392 -1.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2273 -0.9358 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3062 0.4530 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 0.9913 -2.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2561 -0.6477 -2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7328 0.2440 -3.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1404 -0.6697 -4.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6692 -2.6091 -3.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2176 -1.8857 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -1.5498 -4.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -2.3169 -5.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8338 -3.5885 -2.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2222 -4.3616 -3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 -5.1656 -4.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -4.3177 -5.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 -2.2866 -5.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2614 -3.1795 -4.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 -3.9114 -7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 -4.9204 -5.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 -2.9616 -5.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -2.0494 -6.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 -3.7846 -8.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 -4.7345 -7.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 -1.8727 -8.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -3.2942 -8.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8096 -2.7942 -6.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 -3.6098 -5.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4595 -1.8211 -5.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3087 3.1045 4.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 2.3856 3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 -0.4805 2.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 0.0234 4.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 -2.0990 4.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 -0.8130 5.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4648 -2.0222 2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5294 -0.7727 3.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7276 -3.5170 4.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6949 -2.2640 5.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 -3.5919 2.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 -2.3855 3.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5947 -5.2063 4.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2054 -4.7354 3.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8639 -3.5121 6.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4726 -3.0978 5.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5647 -4.6290 7.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3164 -5.3478 6.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0694 -6.6435 5.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 -5.9199 7.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4065 -6.8505 8.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0787 -7.5277 6.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -8.1320 8.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 -8.6531 5.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -10.1923 6.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 -9.0675 5.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -10.3763 8.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2991 -9.0748 9.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1809 -9.4137 8.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4758 -10.9841 7.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3107 -9.5934 6.7836 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 1 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 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 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 21 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 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 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 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 1 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 55148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 57155 1 0 M END