HMDB0048764 RDKit 3D TG(16:1(9Z)/18:2(9Z,12Z)/O-18:0) 162161 0 0 0 0 0 0 0 0999 V2000 -6.1814 3.4756 5.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6288 3.2483 4.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2651 1.9950 3.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7578 2.1436 3.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3772 0.8318 3.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9114 0.4113 1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2731 -0.7152 1.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9385 -1.7124 2.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5623 -2.9852 2.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8809 -4.0815 2.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4409 -4.1287 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7969 -4.6442 0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 -4.6193 1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 -5.0994 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7227 -4.3367 -1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8217 -4.8678 -2.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -4.2021 -3.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -4.8359 -4.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2774 -5.5009 -5.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4104 -4.6738 -4.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 -4.9988 -4.8488 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3522 -6.0783 -4.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 -5.8612 -2.7164 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 -6.7311 -1.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6526 -6.4710 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 -4.9559 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 -4.5397 1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 -3.0239 1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7076 -2.3530 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8251 -0.8221 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8789 -0.2606 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9772 1.2174 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 1.8232 -2.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2456 3.3202 -2.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 3.7795 -2.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 5.3281 -2.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8488 5.9734 -2.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7858 7.4479 -2.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3931 8.2256 -1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 8.0664 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 8.2871 -1.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5408 -3.9978 -5.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9587 -2.8963 -4.7526 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -2.6077 -3.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 -3.5767 -3.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 -1.2505 -3.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 -1.2520 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.1965 -1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2154 0.1403 -0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7377 1.3939 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9738 2.4129 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 2.0109 2.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 3.1545 2.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6939 3.3580 3.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5783 2.4502 3.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 3.0882 2.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 2.1712 2.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0772 2.7490 2.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5066 4.0577 2.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 4.6121 2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1661 2.4945 6.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6277 4.2688 6.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2357 3.8040 5.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 3.0811 4.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7903 4.1092 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8765 1.8438 2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9435 1.1162 4.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9808 2.9373 2.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1721 2.3474 4.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3856 0.1230 3.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5008 1.1296 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0928 1.0532 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9398 -0.9851 0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8431 -1.7196 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3597 -1.3388 3.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6674 -3.0271 2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3900 -5.0444 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -5.0057 2.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8722 -3.3202 2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1681 -4.0822 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1717 -5.6813 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -3.6188 1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0984 -5.2952 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -4.9264 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5705 -6.1920 -0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4701 -3.2719 -1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7743 -4.4371 -1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 -5.9548 -2.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 -4.7069 -2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7557 -3.1138 -3.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9421 -4.3422 -4.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 -5.6496 -5.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0608 -7.1096 -4.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 -5.9871 -4.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 -7.7667 -2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 -6.5537 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3604 -7.0472 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6287 -6.7753 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -4.4442 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 -4.7720 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2836 -4.9383 1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 -4.9096 1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 -2.6831 2.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6822 -2.8002 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 -2.6498 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7826 -2.7028 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 -0.5619 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 -0.5321 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1591 -0.5027 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 -0.7648 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0244 1.4515 -1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7811 1.6778 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2455 1.4546 -3.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 1.6195 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 3.6810 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 3.7727 -2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 3.4424 -1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9077 3.5626 -3.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 5.6155 -3.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 5.5378 -1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 5.6633 -3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 5.6653 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 7.7496 -3.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 7.8909 -2.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2074 8.1313 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4828 9.3439 -1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8799 7.2364 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9911 9.0071 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 8.9277 -2.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 8.8104 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 7.3190 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0575 -3.6306 -6.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 -4.5678 -5.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1643 -0.6094 -2.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5849 -0.6983 -3.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8957 -1.7755 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 -1.8120 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 0.6941 -1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7686 0.6298 -2.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -0.4912 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0973 -0.4511 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3937 1.8641 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5916 1.0829 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 2.8889 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6721 3.2671 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3244 1.6850 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7914 1.1080 2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5784 4.0195 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4346 4.3601 3.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 1.4797 2.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 2.2580 4.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 4.0424 3.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 3.2963 1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4364 1.2060 2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 1.9445 3.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9309 2.0343 2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 2.8403 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6131 3.9697 3.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 4.7817 2.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 4.0660 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6307 4.6059 0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 5.6828 2.3504 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 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 39 40 1 0 40 41 1 0 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 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 2 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 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 6 22 93 1 0 22 94 1 0 24 95 1 0 24 96 1 0 25 97 1 0 25 98 1 0 26 99 1 0 26100 1 0 27101 1 0 27102 1 0 28103 1 0 28104 1 0 29105 1 0 29106 1 0 30107 1 0 30108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 33114 1 0 34115 1 0 34116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 40127 1 0 40128 1 0 41129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 53148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 59159 1 0 60160 1 0 60161 1 0 60162 1 0 M END