HMDB0050444 RDKit 3D TG(20:1(11Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -1.0141 2.4898 -2.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0119 2.9442 -1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 3.1150 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1701 4.1503 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 4.2749 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 4.0120 1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 3.5579 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 2.2089 0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3092 1.6634 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 1.4494 -1.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 0.5182 -1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 -0.8818 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 -1.7329 -1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 -3.1088 -0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -3.9979 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4727 -3.4800 0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 -4.7466 1.1921 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0704 -5.1704 1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -5.1702 0.1671 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8597 -5.4779 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 -5.7992 0.8436 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 -5.4278 -1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 -5.0560 -2.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 -4.9556 -3.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5711 -3.8631 -4.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -2.5898 -3.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 -1.5661 -4.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 -0.4608 -4.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -0.0952 -5.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 0.1467 -6.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 1.3408 -7.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0991 2.5028 -6.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8682 3.5623 -6.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5806 4.7501 -7.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 5.3443 -7.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9719 4.7239 -7.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9254 4.4466 -7.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8613 4.7356 -9.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9991 3.4240 -10.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3214 2.8168 -9.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5612 1.5175 -10.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 0.4713 -10.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 -4.7693 2.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 -3.7911 3.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 -3.5988 4.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4925 -4.3220 4.8045 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0516 -2.6044 5.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 -2.2304 5.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 -1.1318 6.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 0.1040 6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 1.2746 6.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 1.2444 8.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1132 0.5190 9.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 0.7807 9.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6881 0.7795 8.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8464 1.7173 7.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1743 1.4308 6.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4523 0.0821 6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9108 0.0115 5.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 -1.3377 5.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4679 -1.7872 3.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 -0.8649 2.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8691 -1.4032 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0698 -0.5012 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2598 -1.0664 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 3.3531 -2.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5089 1.7655 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1713 2.0139 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5475 3.8678 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 2.1496 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 3.4412 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9221 2.1353 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6923 5.0954 -0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4769 3.7594 -0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1558 4.6054 2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0897 4.1371 2.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 3.5557 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 4.3129 0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8009 2.3774 1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4449 1.5299 1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 2.4497 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 0.7943 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6693 0.9767 -2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6544 2.4190 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 0.8523 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 0.3699 -2.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8116 -1.3139 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2659 -0.8737 0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3807 -1.7047 -2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9338 -1.2467 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9626 -5.5132 0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 -6.2164 1.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4071 -4.4832 2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -6.4326 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2278 -4.7076 -1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 -5.8582 -2.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8573 -4.1172 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 -5.8199 -4.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -3.8492 -5.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 -2.6426 -2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 -2.4132 -4.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0699 -1.7222 -3.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5969 0.2718 -4.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3083 -0.9450 -5.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0271 0.6943 -4.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8637 -0.6779 -7.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 1.4907 -8.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1221 2.2106 -5.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 2.6781 -6.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9372 3.2338 -6.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4946 5.4025 -7.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7133 5.8027 -8.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 6.3938 -6.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 4.4724 -5.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 3.9692 -7.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 5.3702 -9.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 5.2987 -9.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 2.8008 -9.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 3.6133 -11.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 3.5383 -10.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4717 2.5612 -8.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5601 1.1042 -10.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5397 1.7195 -11.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 -0.4917 -10.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4325 0.3024 -9.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 0.6450 -10.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 -4.4946 2.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 -5.7726 2.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 -1.7756 5.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1813 -3.0170 6.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3978 -1.9670 4.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -3.1157 5.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 -1.6219 7.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9076 -0.9895 6.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7214 0.4067 5.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 -0.0676 6.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 2.1372 6.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 1.7644 6.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 2.3736 8.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 1.1289 8.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.6177 9.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5132 0.6605 10.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4927 1.7539 10.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 -0.0258 10.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8865 -0.3021 8.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 0.9358 9.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 2.7960 8.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2416 2.2917 5.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8633 -0.1214 5.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2211 -0.7509 6.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5438 0.2254 6.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0515 0.7498 4.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1431 -2.1147 5.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3253 -1.3310 4.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8483 -2.7838 3.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3855 -1.8909 4.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7535 -0.9870 2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4072 0.1753 2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 -1.3911 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1787 -2.4468 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 0.5093 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1486 -0.5170 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 -0.2635 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8815 -1.7433 -1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 -1.6453 -0.3873 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 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 17 43 1 0 43 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 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 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 17 91 1 6 18 92 1 0 18 93 1 0 22 94 1 0 22 95 1 0 23 96 1 0 23 97 1 0 24 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END