HMDB0050658 RDKit 3D TG(20:1(11Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)) 179178 0 0 0 0 0 0 0 0999 V2000 -1.1815 5.8618 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6633 5.8836 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 7.2284 0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7275 8.0355 -0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 7.6644 -2.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1668 7.7495 -2.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8816 6.8580 -3.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 5.4848 -3.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 4.8052 -3.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 3.7361 -2.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4402 3.0997 -1.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 3.0302 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2429 1.8962 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4317 0.6172 -0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2698 -0.2826 -0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2845 -1.4838 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5239 -2.0924 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7397 -3.4080 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6454 -4.4166 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 -4.7729 1.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4605 -5.8143 1.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 -5.4049 1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -5.8987 0.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 -4.5480 2.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1225 -3.9872 1.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -3.0116 0.7797 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1580 -3.7362 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8159 -3.0378 -1.5896 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -2.9760 -1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 -3.5515 -0.7657 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8782 -2.2297 -2.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 -2.2824 -2.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0247 -1.7330 -1.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5185 -1.8193 -1.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3166 -1.3227 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1698 -1.9722 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5149 -3.4303 0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -4.1549 2.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2186 -4.1998 2.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4642 -5.0349 4.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3659 -4.6674 5.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9714 -3.3028 5.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 -3.3839 6.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 -3.9914 6.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -3.3136 4.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 -1.8959 5.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -1.8574 6.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1221 -0.4078 6.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3541 0.4136 6.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5552 -2.5854 1.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7217 -1.2547 1.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 -0.5280 1.5334 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -0.7019 1.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 0.6791 2.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 1.7598 1.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3038 1.9104 0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7413 3.1009 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5093 3.3209 -1.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 4.5290 -2.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5275 4.6320 -3.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 3.6786 -4.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 2.2698 -4.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 1.3007 -4.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 1.5986 -4.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5823 1.0276 -3.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 0.1721 -3.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 -0.3400 -5.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 -1.8717 -5.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3899 -2.3877 -6.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -3.8816 -6.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7561 -4.4573 -7.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1251 5.7171 1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6716 6.7968 0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 4.9914 -0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7384 5.4653 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 5.1851 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2137 7.5949 1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1095 9.0140 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 8.5342 -2.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2074 6.8047 -2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6179 8.8044 -2.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9420 7.2507 -3.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5253 4.8321 -3.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6548 5.4976 -4.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4393 5.1309 -3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3171 3.2541 -2.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6835 2.2063 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3545 3.7733 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1121 3.9947 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0927 1.8986 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3036 0.1427 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7903 0.6276 -1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2852 0.0832 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3409 -2.0699 0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4492 -1.5375 0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4728 -2.3564 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7761 -3.1669 -1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6993 -3.8941 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6848 -4.0979 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9488 -5.3347 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3045 -3.8863 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4927 -5.2055 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 -6.7777 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 -6.1089 2.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 -4.8312 1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 -3.4668 2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5021 -2.1743 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9096 -3.7807 -0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -4.7623 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5122 -1.1794 -2.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 -2.7008 -3.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6914 -3.3574 -2.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7456 -1.6853 -3.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -2.2939 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7088 -0.6831 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7678 -1.3134 -2.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7798 -2.9048 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -0.2137 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4200 -1.3239 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1943 -1.7890 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9258 -1.5030 1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5873 -3.4726 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9538 -3.9457 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8205 -5.2365 1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2616 -3.7162 2.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4809 -4.7963 2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 -3.2488 3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 -6.0922 3.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5914 -5.4255 6.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8154 -2.9540 6.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8227 -2.5931 4.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6348 -2.3620 7.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 -4.0174 7.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7741 -4.2096 6.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8341 -5.0287 5.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 -3.3010 3.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 -3.8694 4.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3275 -1.1989 5.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -1.5345 4.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8398 -2.3576 7.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5674 -2.3832 6.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3268 -0.2870 7.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 -0.0187 5.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 -0.2067 7.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0434 1.3644 7.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 0.6831 5.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -0.7717 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 -1.3630 2.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3609 0.6685 3.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0185 0.9926 2.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6396 2.7206 2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4278 1.6693 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.0328 -0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 2.0494 0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 2.9096 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 3.9728 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5138 2.4367 -2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 3.5481 -1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 5.4813 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 5.6992 -4.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9402 4.0339 -5.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 3.8701 -5.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 1.8690 -4.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 0.2672 -4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1989 1.2438 -5.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 2.6980 -4.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3383 1.3211 -2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 -0.2012 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1563 -0.1853 -5.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 0.0098 -6.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -2.2656 -4.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -2.1542 -5.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7719 -1.9435 -7.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4327 -2.0748 -6.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 -4.2154 -6.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -4.3168 -5.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -3.6761 -8.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8313 -4.6995 -7.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -5.3725 -8.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 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 1 0 39 40 1 0 40 41 2 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 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 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 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 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 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 49146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 71179 1 0 M END