HMDB0049933 RDKit 3D TG(18:1(9Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 177176 0 0 0 0 0 0 0 0999 V2000 10.2769 4.4030 -3.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 3.2953 -2.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2009 2.6462 -2.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5027 1.5451 -1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1697 0.9102 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 -0.1765 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7657 -0.1648 1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9361 0.9764 1.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5954 1.4605 3.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0514 1.4875 4.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6404 1.0035 4.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6776 -0.1486 5.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0704 -0.2703 6.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2013 0.8240 6.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8522 0.2402 7.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 0.6497 6.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7594 1.8718 5.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 2.7931 6.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2607 3.2328 5.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 2.9220 4.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 4.2439 3.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1065 3.9088 2.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 4.8168 1.5412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8475 2.7371 1.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 2.2824 0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 3.0312 -0.7769 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1163 3.1338 -0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 1.9725 -0.6148 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8932 0.8244 0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 0.6894 1.1262 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7182 -0.3352 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6736 -1.5268 0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 -1.3830 1.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1079 -2.6356 2.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 -3.2743 2.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8243 -2.3861 3.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -3.0524 3.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 -3.4749 2.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 -3.0400 2.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -2.0859 3.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -2.7462 3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4357 -3.2657 2.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9725 -2.2652 1.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8066 -1.2016 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3804 -0.1996 1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3451 0.5501 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0200 1.5328 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 4.3214 -0.7477 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 4.8681 -1.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 4.2102 -2.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1373 6.1814 -1.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 6.1174 -1.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 5.5809 -3.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1653 4.2539 -3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2181 3.0586 -2.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8561 1.8753 -3.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7598 0.5696 -2.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 -0.4575 -3.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1507 -1.8418 -3.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 -1.8389 -2.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9704 -2.5241 -2.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 -3.3968 -3.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3866 -4.8286 -3.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -5.5307 -2.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8082 -5.6865 -3.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 -6.4116 -4.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3172 -5.8354 -5.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6471 -6.6784 -6.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9078 -6.0262 -7.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2148 4.4722 -3.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5521 5.3613 -3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9126 4.2952 -4.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1157 2.5108 -3.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0004 3.6788 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 2.2666 -3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 3.3707 -1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 1.9855 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1884 0.8127 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 1.6591 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8502 0.4136 -1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9165 -1.0584 -0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 -0.9890 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9185 0.6277 1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 1.8655 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6297 1.8189 2.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 1.8590 5.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1749 0.7475 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0997 1.8865 4.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3019 -1.0014 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 -1.2021 7.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 1.7429 6.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5739 0.9890 8.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 -0.6588 7.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 0.1235 6.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4294 1.4918 4.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6992 2.3721 5.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 3.0596 7.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 3.9032 6.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 2.4314 4.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0119 2.2959 3.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 4.8435 3.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5787 4.8146 4.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9671 1.2157 0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 2.4429 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 2.6230 -1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5368 3.9501 -1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 3.5958 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3344 -0.6255 -1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -0.0365 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 -2.0092 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3307 -2.3155 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2263 -1.0404 1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 -0.5974 2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5486 -2.4007 3.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -3.3592 2.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 -4.1685 3.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 -3.6520 1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -1.4853 3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 -2.0464 4.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1092 -2.4696 4.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 -4.0103 4.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 -4.1872 2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9317 -3.4416 1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7711 -1.7082 4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5411 -1.1803 2.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1646 -2.0714 4.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2806 -3.6122 4.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0025 -4.1032 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3235 -3.7297 3.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7046 -2.8135 0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2169 -1.8416 0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1381 -0.6188 3.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6321 -1.6515 2.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0232 0.4921 1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0692 -0.7002 0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7458 -0.1473 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6647 1.1344 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8095 1.2776 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6842 2.5552 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1248 1.5265 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 6.7447 -2.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 6.7659 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9957 5.6894 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9466 7.2112 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 5.6051 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 6.3612 -3.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3762 4.1264 -4.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 4.0765 -4.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2891 2.8419 -2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 3.0931 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 1.7924 -4.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8323 2.0852 -4.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0726 0.5415 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7789 0.2315 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4344 -0.1365 -4.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 -0.5754 -4.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0557 -2.6105 -4.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0934 -2.0614 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 -1.2053 -1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 -2.4326 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3636 -3.0264 -3.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3105 -3.3102 -4.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4044 -4.6817 -2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1432 -5.4095 -3.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6066 -5.1976 -1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 -6.6076 -2.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4194 -6.3011 -2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4106 -4.7166 -3.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6986 -7.5173 -4.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 -6.5156 -4.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 -4.8259 -5.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2226 -5.9076 -5.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3874 -7.7295 -6.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 -6.5381 -7.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1209 -4.9409 -7.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 -6.2151 -7.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1927 -6.4734 -8.9369 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 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 2 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 26 48 1 0 48 49 1 0 49 50 2 0 49 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 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 6 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 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 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 1 0 68174 1 0 69175 1 0 69176 1 0 69177 1 0 M END