HMDB0071144 RDKit 3D TG(10:0/18:0/18:0) 149148 0 0 0 0 0 0 0 0999 V2000 1.5475 4.0381 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 4.5527 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2139 4.6643 1.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 5.1701 3.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0011 5.3089 4.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3467 3.9991 4.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 2.9576 5.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 1.6751 5.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1402 1.0965 4.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 -0.2000 4.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 -0.1699 5.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 0.7859 5.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7238 0.7547 6.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3188 -0.5205 7.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3272 -1.1947 6.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9964 -1.6029 5.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2617 -2.3407 4.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0515 -2.7400 3.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8472 -3.5517 2.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0033 -2.2756 2.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8597 -2.6829 1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5969 -1.9530 0.5215 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4704 -2.5001 1.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 -1.9640 1.0756 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1881 -2.5400 1.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4672 -3.4723 2.6957 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 -2.0824 1.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0784 -2.8445 2.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5136 -2.2937 2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 -2.9556 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -2.5694 3.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 -2.7415 2.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -2.0336 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 -0.5109 1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0862 0.0400 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8861 -0.6038 0.6792 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4118 0.1888 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 -0.2965 -1.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 1.6216 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6358 2.2579 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2512 2.3373 -2.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9812 3.1224 -2.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6889 3.2674 -4.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4924 2.0485 -5.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 1.1715 -4.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 1.9185 -4.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1653 1.0267 -4.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2245 -0.1301 -5.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3627 0.3715 -6.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.8097 -7.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 -1.7704 -7.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.8969 -8.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1759 -3.6644 -8.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 -4.8294 -9.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 -5.5923 -9.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 4.2670 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6278 2.9160 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 4.3929 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 5.5293 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 3.8178 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3894 5.2887 1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 3.6383 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 6.1905 2.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7544 4.4985 3.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2662 6.1168 4.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6388 5.6147 5.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 4.2056 5.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 3.6620 3.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 2.8192 4.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 3.3299 5.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 1.8655 6.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4927 0.9284 5.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 0.8626 3.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 1.7798 3.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 -0.9714 4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3383 -0.5767 3.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1198 -1.1841 6.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0981 0.0579 6.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 0.8108 4.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 1.8194 5.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 1.2601 7.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5778 1.4957 6.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7971 -0.3140 8.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4773 -1.2422 7.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2862 -0.5583 6.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6514 -2.1479 7.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -0.7720 4.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1824 -2.3447 5.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 -1.6522 4.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4816 -3.2167 5.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7247 -2.5341 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5698 -3.7499 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 -2.2654 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -2.5378 2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3768 -3.5977 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 -2.3095 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3277 -0.9911 1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1119 -3.9130 2.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 -2.6990 3.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 -2.5886 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 -1.2169 2.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -4.0892 3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -2.8363 4.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3339 -3.1867 4.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0073 -1.5205 3.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 -2.4014 2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -3.8276 2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 -2.1607 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6881 -2.4185 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6617 -0.2038 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3868 -0.1310 1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0645 0.1390 -0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6052 1.0237 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -0.6257 -0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1396 1.7838 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7107 2.1281 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6717 1.8119 -1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8482 3.3416 -0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2398 1.3468 -2.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 2.8790 -3.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1199 2.7160 -2.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1568 4.1499 -2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4365 3.9429 -4.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7318 3.8655 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 2.3837 -6.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 1.4380 -5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4795 0.7739 -3.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3462 0.2953 -5.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 2.4538 -5.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0309 2.6941 -3.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1608 0.6782 -3.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 1.6276 -4.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 -0.6995 -5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 -0.7876 -5.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 1.0868 -7.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 0.9003 -6.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -1.3548 -7.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 -0.3984 -8.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 -2.1778 -6.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 -1.2587 -7.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3327 -3.5635 -8.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -2.4494 -9.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 -3.0283 -8.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0177 -4.0302 -7.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 -5.4869 -9.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3543 -4.4255 -10.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0744 -6.3761 -8.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9563 -4.9009 -9.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -6.0326 -10.3562 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 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 22 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 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 6 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 35114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 55149 1 0 M END