HMDB0043024 RDKit 3D TG(15:0/16:0/14:1(9Z)) 144143 0 0 0 0 0 0 0 0999 V2000 1.1942 -2.2886 2.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0386 -1.4067 2.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1246 -1.4804 1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2806 -0.6308 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 0.7684 0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 1.7151 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1126 1.5319 -1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1543 2.0165 -2.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 3.4474 -1.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5748 4.0853 -2.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8825 3.4115 -2.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0328 4.1388 -3.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3377 3.4271 -2.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4372 2.0901 -3.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 1.8665 -4.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 0.9971 -3.0819 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8746 -0.2588 -3.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7886 -1.2776 -3.2586 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5496 -0.8402 -3.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 -1.5894 -3.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 -1.2072 -4.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -0.1853 -5.1225 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 -1.8724 -4.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 -2.8476 -3.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -3.4678 -2.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5297 -4.4228 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 -5.0634 -1.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8788 -5.9969 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2377 -6.6412 -0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2426 -7.5691 0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8928 -6.9790 2.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7335 -5.8761 2.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1748 -6.1815 2.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8439 -4.9351 3.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3105 -5.0996 3.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1220 -5.4510 2.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8161 -1.3943 -1.8725 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3679 -2.5124 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 -3.4173 -2.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 -2.8311 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -2.0813 0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3212 -0.5931 1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 -0.3152 1.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9437 1.1944 1.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 1.5266 2.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5426 2.9381 3.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 3.9389 2.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 5.3171 2.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9441 6.4316 1.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6322 6.3474 1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 6.3253 2.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 7.5790 2.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 7.5776 3.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0293 7.5132 3.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -1.7297 3.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 -2.8418 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7885 -3.0872 3.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -1.8429 2.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1615 -0.3740 2.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -1.1354 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -2.5532 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1503 -0.9597 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 -0.8844 -0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9277 0.9895 1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7902 2.7355 0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9431 2.1752 -1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2142 0.4915 -1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 1.4146 -1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0506 1.8206 -3.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 3.5109 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 4.0221 -2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3914 4.2351 -3.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6777 5.1304 -2.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8045 2.3681 -2.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 3.3355 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8391 4.3548 -4.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 5.1285 -2.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 3.4333 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1251 4.1003 -3.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8867 -0.6515 -3.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7723 -0.0844 -4.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1946 -2.2459 -3.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7338 -0.8748 -5.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3945 0.2510 -3.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -2.4735 -5.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9322 -1.1615 -4.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -2.3711 -2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 -3.6872 -3.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3133 -2.7288 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 -3.9842 -3.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1738 -3.9496 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 -5.2469 -2.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6861 -4.3218 -1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1213 -5.7045 -2.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1772 -6.8376 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -5.5423 0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0081 -5.8464 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4429 -7.2401 -1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2098 -8.1282 0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4976 -8.3814 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 -6.5914 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8595 -7.7756 2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3013 -5.5962 3.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6621 -4.9333 2.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6904 -6.5934 2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2623 -6.9554 3.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6613 -4.0754 2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3312 -4.6484 4.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6643 -4.0995 4.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4735 -5.8154 4.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6401 -5.1889 1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4061 -6.5243 2.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0979 -4.8817 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7627 -3.9229 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 -2.7511 0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6775 -2.4701 1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5337 -2.1913 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3209 -0.0603 0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -0.1966 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 -0.7819 2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 -0.7476 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7967 1.6369 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8822 1.5349 2.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6631 0.8968 3.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 1.2111 2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 3.2795 3.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6643 3.0769 3.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2551 3.9848 1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 3.7514 1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4347 5.2774 3.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 5.5264 3.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7459 6.4421 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 7.3808 2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 7.3346 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 5.5754 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 6.2792 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 5.4313 2.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 8.4631 2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3986 7.6010 3.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 8.5300 4.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 6.7002 4.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4597 6.4841 3.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 8.2114 3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 7.8865 2.0973 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 2 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 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 18 37 1 0 37 38 1 0 38 39 2 0 38 40 1 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 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 17 80 1 0 17 81 1 0 18 82 1 6 19 83 1 0 19 84 1 0 23 85 1 0 23 86 1 0 24 87 1 0 24 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 36113 1 0 40114 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 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 54144 1 0 M END