HMDB0043810 RDKit 3D TG(15:0/O-18:0/18:1(9Z)) 163162 0 0 0 0 0 0 0 0999 V2000 1.6179 8.2288 2.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 7.4669 3.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2519 6.0182 3.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9874 5.3197 2.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4047 3.8512 2.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6977 3.1288 3.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 1.6718 3.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 1.5706 4.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 0.2452 4.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -0.3760 3.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 0.2154 2.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8990 0.4703 2.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5301 0.9141 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1151 2.1247 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7774 2.1560 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 0.9820 -1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 1.0543 -2.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6756 -0.0631 -3.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4346 -0.0367 -4.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.1942 -3.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9868 -2.2467 -3.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0041 -3.3802 -3.5200 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6576 -3.0176 -3.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 -1.8057 -3.3459 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 -1.3806 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 -2.1349 -4.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2472 -0.1182 -3.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 -0.0534 -3.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 1.1534 -3.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 2.4204 -4.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1013 3.6374 -4.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 4.0482 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 5.2892 -2.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0047 5.9073 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 6.4455 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4005 5.5865 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 4.4703 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2678 4.9587 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8763 5.8741 3.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 5.2426 4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -3.7034 -2.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 -4.7388 -2.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 -5.1772 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5653 -5.9306 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 -5.3097 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 -6.2524 0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 -5.9399 1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -4.5750 1.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 -4.5701 1.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 -3.3061 2.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -2.1536 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7361 -2.5203 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1918 -2.8388 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5067 -3.2152 -1.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9408 -3.5808 -1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 -3.9540 -3.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3728 -5.1154 -3.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5871 -6.3912 -3.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9825 -6.9146 -3.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0703 9.1618 3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 8.5503 1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4658 7.6266 2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 7.9337 4.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 7.4826 3.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 5.5787 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 5.8603 4.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0854 5.3389 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5524 5.8434 1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2735 3.4196 1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 3.9081 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4131 3.1986 3.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 3.6041 4.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 1.3024 4.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 1.0780 2.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6686 2.1618 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0745 2.1601 3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -0.2543 5.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 -1.3832 3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 -0.5821 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8951 1.0796 2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4623 -0.3994 2.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1422 1.2952 3.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4748 0.0183 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6878 0.9174 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1008 2.9902 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9231 2.4958 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 3.0718 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 2.2337 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6053 1.0323 -1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 0.0214 -0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 1.9854 -2.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 1.2765 -1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0041 -2.6825 -3.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7095 -1.9431 -5.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4075 -4.2445 -4.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 -3.8476 -3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 -2.8605 -5.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 0.7593 -3.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -0.1049 -2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0779 -0.3277 -4.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6856 -0.9214 -3.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8926 1.0180 -4.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 1.2393 -2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0536 2.2525 -5.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 2.5564 -3.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0077 3.4832 -4.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 4.5498 -4.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 3.1864 -2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6462 4.2809 -2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 6.0529 -3.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 4.9861 -3.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 5.2174 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 6.7914 -1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 7.2836 -0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 6.9919 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4377 5.2450 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0664 6.2521 1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 3.9510 1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5397 3.7154 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7057 4.0406 2.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1301 5.3524 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8374 6.1615 3.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4169 6.7840 2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1801 5.5822 5.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8666 5.5334 3.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9473 4.1204 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -5.6065 -2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2092 -4.3821 -2.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 -5.7854 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9207 -4.2632 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 -6.1376 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 -6.9953 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 -4.3496 0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7316 -5.1596 -0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -7.2699 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 -6.3520 1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -6.0942 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 -6.7400 1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 -4.4133 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9922 -3.8351 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2933 -4.9421 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 -5.3713 2.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0678 -3.0238 3.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5992 -3.4687 2.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1474 -2.0440 1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -1.2533 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5489 -1.6370 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 -3.3463 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 -1.9405 -0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5182 -3.6135 0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2244 -2.4392 -2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8944 -4.1237 -1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2838 -4.3781 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 -2.6821 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2853 -4.1072 -3.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9151 -3.0928 -3.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6003 -5.2379 -4.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 -4.8527 -3.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -6.2676 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9137 -7.1535 -3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4143 -6.7592 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0212 -8.0228 -3.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6468 -6.3861 -3.7631 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 2 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 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 39 40 1 0 22 41 1 0 41 42 1 0 42 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 1 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 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 7 74 1 0 8 75 1 0 8 76 1 0 9 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 6 23 96 1 0 23 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 40124 1 0 40125 1 0 40126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 59163 1 0 M END