HMDB0042285 RDKit 3D TG(14:0/14:1(9Z)/24:1(15Z)) 163162 0 0 0 0 0 0 0 0999 V2000 3.3700 2.4301 2.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9402 1.5338 1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6353 2.1382 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3064 3.5210 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0516 4.1557 -1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9901 4.5486 -2.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4446 4.4256 -1.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1890 3.6877 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 2.2538 -3.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0858 1.4481 -2.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9418 -0.0095 -2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6618 -0.5988 -2.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8765 -2.1082 -2.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7568 -2.9302 -2.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 -4.0900 -2.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 -2.6152 -3.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7658 -3.5920 -4.2345 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4081 -2.9598 -4.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 -3.8733 -4.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 -3.3494 -4.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 -2.1169 -3.8954 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1165 -4.2148 -4.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -3.4792 -3.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -2.8064 -2.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 -3.8733 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4943 -3.1148 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 -3.8741 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 -4.5724 1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 -5.6751 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5857 -6.8215 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 -7.4181 1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 -7.9667 2.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4018 -8.5670 3.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -7.4871 4.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 -3.9298 -5.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -2.9214 -6.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -1.6702 -6.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9672 -1.2308 -6.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 -0.7578 -7.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6701 0.6988 -7.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7938 0.7638 -6.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7047 2.0907 -5.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7285 1.8170 -4.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4591 3.0000 -3.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 2.6141 -2.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 3.7231 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8507 3.1782 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 4.2664 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2508 3.7259 1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 4.7800 2.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 4.2154 3.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1384 3.1023 4.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0597 3.1170 5.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4803 4.1783 6.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5484 3.6792 7.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0569 2.5388 8.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1326 2.0415 9.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3354 1.5577 8.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9978 0.4294 7.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4601 -0.7243 8.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1208 -1.8697 7.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 3.0120 2.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 3.0512 2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 1.7665 3.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 1.5283 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6054 0.4793 1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 1.5325 -0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 2.3007 -0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 4.1467 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3377 3.3583 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 4.3122 -1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6766 5.0242 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 4.1350 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 5.5013 -1.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 3.7801 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1326 4.2982 -3.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5999 1.8850 -4.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 2.1649 -3.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0871 1.7615 -1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3589 1.8152 -1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7291 -0.3645 -2.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2617 -0.5477 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5422 -0.3269 -3.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7523 -0.3000 -2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8327 -2.3524 -3.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1348 -2.4272 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8408 -4.4780 -3.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 -2.2015 -4.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3656 -2.4992 -3.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -5.1370 -3.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1509 -4.5959 -5.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5484 -2.7035 -4.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2893 -4.1533 -4.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8113 -1.9913 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5386 -2.3301 -2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 -4.5858 -1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4056 -4.3450 -1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 -2.2629 -0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5069 -2.5816 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3312 -4.5696 1.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6479 -3.1399 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3605 -3.7775 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 -4.9642 2.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7936 -6.1251 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 -5.3177 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4949 -6.5405 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0734 -7.6259 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5248 -6.6182 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 -8.1908 1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 -8.7227 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2506 -7.0912 2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1016 -9.3797 3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 -8.9002 4.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 -6.4648 4.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1966 -7.6045 4.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -7.5354 5.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.7620 -5.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -4.3731 -5.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 -0.9222 -8.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5416 -1.0474 -8.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7206 0.8944 -7.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2655 1.3890 -8.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 0.0199 -5.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 0.5103 -6.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3128 2.8838 -6.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 2.3471 -5.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1155 0.9901 -3.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 1.4100 -4.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 3.5096 -3.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 3.7437 -4.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 2.2815 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1231 1.7086 -1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 4.1960 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 4.5001 -2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 2.8364 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4182 2.2996 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 5.0792 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3775 4.7084 1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 2.8132 2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1445 3.4175 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1673 5.6213 2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 5.1894 3.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6128 3.8965 2.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9877 5.0398 4.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7638 2.1958 3.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6197 2.2190 6.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5973 4.4224 7.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8006 5.1172 6.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8828 4.5297 8.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4018 3.3580 6.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6803 1.6982 7.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 2.9062 8.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4817 2.8939 9.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7901 1.2533 9.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1056 1.2264 9.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8358 2.3602 7.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9161 0.0840 7.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2398 0.8040 6.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5679 -0.4862 8.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2766 -1.0851 8.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9224 -2.6240 7.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1693 -2.3579 7.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0065 -1.4363 6.3809 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 2 0 20 22 1 0 22 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 17 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 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 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 59 60 1 0 60 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 3 68 1 0 4 69 1 0 4 70 1 0 5 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 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 17 87 1 1 18 88 1 0 18 89 1 0 22 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 61163 1 0 M END