HMDB0043221 RDKit 3D TG(15:0/18:1(11Z)/15:0) 153152 0 0 0 0 0 0 0 0999 V2000 -1.8227 -3.2387 9.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -2.4259 8.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 -3.0405 7.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7832 -2.2675 6.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 -2.7443 5.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4909 -4.1953 4.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4745 -4.4791 3.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1685 -4.8136 2.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7685 -4.9339 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5683 -6.3610 1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 -6.5551 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6888 -5.5603 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7863 -5.8461 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -4.8302 -1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 -5.1489 -1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 -4.0843 -2.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 -4.3835 -2.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4067 -3.3255 -3.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5814 -3.4644 -4.0998 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7574 -2.1327 -4.0212 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4204 -1.1552 -4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7253 -0.0935 -3.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4284 -0.0010 -3.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1065 0.7691 -1.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0556 1.4753 -1.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7992 0.9046 -1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8174 -0.1850 -1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 -0.3557 -2.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -1.5246 -3.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8134 -1.6568 -2.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 -0.6412 -2.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 -1.0504 -1.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0624 -1.1338 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 0.1864 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 1.1327 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7378 2.4249 0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 3.3890 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7078 4.6881 1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8966 5.6155 0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -0.3603 -5.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0178 0.7129 -5.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1692 1.6487 -5.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8716 1.5030 -6.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7173 2.7181 -4.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 3.6170 -5.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 4.6733 -4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 5.6820 -4.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9554 5.2140 -4.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5638 4.4760 -3.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 5.0452 -2.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 5.3041 -1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6702 5.8928 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5802 6.1611 0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5199 5.0759 1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 3.9382 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 3.0544 1.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 1.8837 2.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0811 -4.0649 9.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6099 -2.6215 10.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8169 -3.7254 9.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0487 -1.3462 8.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 -2.3827 7.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5508 -4.1113 7.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -2.8965 7.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7303 -2.1687 5.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -1.2066 6.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7782 -2.6416 5.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -2.0938 4.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7775 -4.7921 5.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 -4.2719 4.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5305 -4.4029 3.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0071 -5.0061 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 -4.6396 2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7097 -4.3139 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 -7.0408 2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3003 -6.5342 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 -6.5600 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0735 -7.5820 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6971 -4.5504 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3022 -5.5994 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -5.8114 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9061 -6.8515 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7651 -4.9281 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 -3.7861 -0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 -5.2831 -0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 -6.1001 -2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -3.0615 -2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 -4.1355 -3.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3786 -4.5302 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 -5.3499 -3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4069 -1.4913 -5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1216 0.7853 -4.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3805 -0.6339 -2.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 1.8832 -1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 0.9275 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1298 -1.1637 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8999 0.0801 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 -0.4984 -3.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8391 0.5681 -3.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -2.4799 -2.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 -1.6653 -4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 -1.7516 -1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 -2.6537 -2.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 0.3449 -2.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 -0.6246 -3.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9647 -0.3463 -2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4079 -2.0797 -2.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0709 -1.4795 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 -1.8807 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6926 -0.0373 1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 0.6277 -0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9977 1.3609 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 0.6350 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8075 2.9207 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6374 2.2150 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8272 2.8822 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8719 3.6053 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 4.5196 2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 5.1442 0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 6.6688 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2526 5.4923 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6971 5.3744 1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9237 -0.9903 -6.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3764 0.0583 -6.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3064 2.2954 -3.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 3.4222 -4.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6867 3.0815 -5.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9115 4.1156 -6.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4701 5.2104 -4.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 4.1567 -3.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 6.5674 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 6.0903 -5.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1123 4.7016 -5.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 6.1558 -4.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1263 3.4332 -3.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 4.2244 -3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 5.9553 -2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2554 4.3191 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 4.2800 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3127 5.9259 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 5.3372 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 6.9233 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 6.9266 0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 6.7728 1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 5.5803 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9069 4.6485 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 3.2651 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 4.2099 3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 2.5783 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 3.5797 1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 1.1865 2.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2448 2.3292 3.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 1.3837 2.2556 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 2 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 55 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 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 22 92 1 0 22 93 1 0 26 94 1 0 26 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 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 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 56149 1 0 56150 1 0 57151 1 0 57152 1 0 57153 1 0 M END