HMDB0048244 RDKit 3D TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 165164 0 0 0 0 0 0 0 0999 V2000 1.9743 4.9471 8.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3327 4.5754 7.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 5.2004 6.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8097 4.7829 5.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 5.2078 4.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 6.0117 3.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4065 6.5476 2.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5726 6.1284 1.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 6.6597 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3195 6.5910 -0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5808 5.4620 -1.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5436 4.6030 -1.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 3.8379 -1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7163 2.9705 -2.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 2.8755 -3.2406 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6908 2.2855 -1.4629 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2443 1.4410 -2.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 0.1904 -2.6808 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9539 -0.6734 -1.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1861 -0.7031 -0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -1.5960 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -2.3717 0.3071 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 -1.6829 1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -2.9872 2.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 -4.1506 1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 -5.3986 2.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7829 -6.6564 2.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7929 -6.9947 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3001 -8.0485 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3899 -9.1586 0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 -9.2802 2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 -9.2371 2.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1169 -9.0622 1.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0029 -10.2271 1.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2745 -10.1363 1.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0266 -8.8771 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6945 -8.8697 3.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0347 -8.7897 3.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8262 -8.7194 2.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6388 -7.5363 1.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7725 -7.1315 2.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 -6.7244 4.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7958 -6.2682 4.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -0.5275 -3.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 -0.9038 -4.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4367 -0.5729 -5.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4598 -1.6839 -4.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2702 -2.0858 -3.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7669 -0.8701 -2.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -0.5505 -2.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1383 -1.3577 -3.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1404 -0.9523 -3.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1549 0.1000 -4.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1347 1.1502 -4.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6955 1.2459 -6.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 2.3877 -6.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2475 3.6787 -6.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4762 4.1695 -6.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5695 4.4720 -6.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7061 4.3716 -4.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0986 5.7128 -4.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3285 6.3344 -3.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0422 5.9039 -2.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0534 5.7549 -1.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3851 7.0368 -0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3653 6.8619 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7142 8.1673 1.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8716 4.7838 9.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 6.0077 8.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1922 4.2523 9.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2649 3.4490 7.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4021 4.8374 7.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3755 4.9562 6.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 6.3154 6.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0265 4.9564 4.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 3.6364 5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 4.8311 5.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 6.2702 3.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 6.4745 3.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 7.6763 2.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 5.0021 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 6.4167 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 6.2924 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8223 7.7912 1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 7.3579 -1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 7.2769 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4794 4.8296 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1249 5.8875 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9971 3.8442 -2.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 5.1992 -2.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0055 3.2388 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 4.5033 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9818 1.9936 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 1.0742 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 0.3813 -3.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 -0.2043 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1242 -1.6492 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 -1.5772 1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2688 -0.8315 2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1143 -2.9370 3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2931 -3.1415 2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 -4.0220 1.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1268 -4.1093 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 -5.2598 3.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -5.6217 2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6748 -7.4468 2.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9022 -6.3341 2.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -6.2522 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -8.0977 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3798 -10.0758 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2131 -9.5808 0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0561 -9.4639 2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2071 -9.3219 3.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8295 -8.9582 0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 -8.0962 1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -11.2374 1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8275 -11.1105 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3454 -7.9584 2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6741 -8.6401 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0715 -8.9253 4.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4071 -8.8157 4.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6727 -9.5386 2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3795 -9.2060 1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9391 -6.6204 1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0426 -7.6390 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2839 -6.2074 2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6280 -7.8658 2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8111 -5.8303 4.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 -7.5003 4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3916 -7.1799 5.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5961 -5.7440 5.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3535 -5.5863 4.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1362 -0.9928 -5.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 -2.5424 -5.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0433 -2.8044 -3.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 -2.5968 -2.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0194 -0.1550 -2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1774 0.4255 -2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7449 -1.5202 -2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8475 -2.4493 -3.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0374 -1.6810 -4.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0198 0.2558 -5.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2141 1.0353 -4.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6683 2.1003 -4.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3299 0.3136 -6.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4474 2.3704 -7.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4349 4.4249 -6.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1962 3.7917 -5.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4247 4.2676 -8.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4427 4.8178 -6.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6428 3.7438 -4.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8786 4.0238 -4.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0708 6.1251 -4.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7439 7.3182 -3.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 6.7372 -3.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5938 5.0092 -3.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9832 5.5230 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7053 4.9643 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4321 7.3602 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7341 7.8795 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3878 6.5264 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1056 6.1083 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3484 8.1998 2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8217 8.3162 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2677 9.0297 0.9590 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 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 18 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 9 84 1 0 10 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 17 93 1 0 17 94 1 0 18 95 1 6 19 96 1 0 19 97 1 0 23 98 1 0 23 99 1 0 24100 1 0 24101 1 0 25102 1 0 25103 1 0 26104 1 0 26105 1 0 27106 1 0 27107 1 0 28108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END