HMDB0044979 RDKit 3D TG(18:0/20:1(11Z)/20:2n6) 179178 0 0 0 0 0 0 0 0999 V2000 -0.1978 -6.3663 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 -6.1928 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 -5.8418 -1.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0834 -4.6503 -1.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4891 -3.2951 -1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -3.0815 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3087 -2.1557 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -1.2477 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6597 -1.3654 0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2772 -0.3476 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8035 0.9919 0.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6159 1.9977 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6643 2.0997 -1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 2.5100 -2.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 1.6273 -2.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2194 2.2475 -2.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 1.3109 -3.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 0.6941 -1.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9976 1.4973 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 0.6920 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8765 0.5050 0.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 0.0884 1.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 -0.5842 2.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 -1.2191 3.5413 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6662 -1.4998 4.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 -0.2773 4.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6605 -0.2954 5.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 -1.5086 5.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 0.7166 5.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3763 2.1534 5.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1118 2.9157 4.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9648 2.5140 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6999 3.4181 2.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 4.8417 2.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2228 4.9117 3.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9797 6.3500 3.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 7.2093 2.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 6.7350 1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 7.5746 0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 7.5789 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 8.4213 -1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 8.5246 -2.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 9.2030 -2.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 9.0711 -1.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8029 9.5749 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5679 -2.3671 3.5556 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 -2.5060 4.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0457 -1.4590 4.9316 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 -3.6673 4.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -3.8748 3.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3301 -5.0824 3.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -5.4253 2.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -4.3942 2.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5613 -4.9926 1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7186 -4.1513 1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6336 -2.9468 0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2986 -3.2852 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3127 -2.1120 -1.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -1.6249 -2.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0498 -2.2472 -2.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7525 -2.6986 -4.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 -3.3232 -4.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9532 -3.8007 -5.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 -4.8441 -6.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3879 -5.2882 -7.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2589 -6.3282 -8.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6667 -5.8694 -8.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9117 -5.5441 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0777 -6.3873 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -7.3362 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5434 -7.2765 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8512 -5.6400 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 -6.7441 -2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 -5.8409 -2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 -4.6386 -3.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 -4.8154 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1638 -2.5767 -2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5228 -3.0338 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -3.6553 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 -2.0540 1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 -1.2902 -1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 -0.2325 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1665 -2.3094 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3465 -0.5208 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1193 1.1664 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 1.2478 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 2.0088 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2362 3.0126 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5897 2.7492 -1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0761 1.0826 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 2.5759 -3.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2427 3.5963 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 0.6622 -2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 1.4858 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7109 2.4099 -3.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 3.2529 -2.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 1.8300 -3.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 0.4939 -3.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 0.0977 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8816 -0.1371 -1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 2.1642 -0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 2.2126 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4275 -1.2956 1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 0.2099 2.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 -0.4522 4.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -2.2048 3.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 -1.8475 5.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1284 0.4470 6.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5952 0.5435 4.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2397 2.7198 5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5112 2.3308 6.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0728 4.0096 4.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0835 2.8950 3.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3052 1.5472 2.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0687 2.2853 3.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 3.4522 1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 2.9973 1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 5.3146 2.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1398 5.3972 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3327 4.4516 3.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 4.3729 4.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 6.4561 4.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8816 6.8037 4.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 8.2267 3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 7.2825 1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 6.8098 2.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4115 5.6584 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0155 7.2640 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 8.6278 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0168 6.5033 -0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 7.7993 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2702 9.4145 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 7.9986 -1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 8.9586 -3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5846 7.4512 -3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 9.0710 -3.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 10.3617 -2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4023 8.0534 -1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 9.7165 -2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7722 9.9829 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4558 10.4901 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 8.8569 0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -3.6678 5.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -4.6008 4.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -4.1011 2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1066 -2.9945 3.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 -4.8645 4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6592 -5.9449 3.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9403 -5.7546 1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8984 -6.3610 3.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9128 -4.0828 3.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 -3.5212 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1162 -5.4106 0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9034 -5.9114 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5588 -4.7872 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2008 -3.8092 2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9544 -2.2311 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6497 -2.4518 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4056 -3.9039 -0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1407 -3.9703 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2649 -1.5376 -1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5315 -0.7193 -3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 -1.4619 -2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9324 -3.1381 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5169 -3.4194 -4.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7479 -1.8486 -4.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 -2.5528 -3.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -4.1204 -3.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9425 -4.2628 -5.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 -2.9592 -6.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 -4.4238 -6.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 -5.7331 -5.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 -5.7157 -7.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 -4.4465 -8.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2596 -7.2729 -7.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8326 -6.5701 -9.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3473 -6.0201 -7.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -4.8147 -8.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0733 -6.4741 -9.1501 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 1 0 19 20 1 0 20 21 2 0 20 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 2 0 27 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 57 58 1 0 58 59 2 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 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 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 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 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 0 23104 1 0 24105 1 1 25106 1 0 25107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 45142 1 0 49143 1 0 49144 1 0 50145 1 0 50146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 67179 1 0 M END