HMDB0052452 RDKit 3D TG(18:2(9Z,12Z)/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 5.5457 9.1203 7.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3648 8.1828 7.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 8.7405 6.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3593 8.1088 4.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 6.7675 4.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7552 6.8371 3.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4433 6.1133 2.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 5.1850 2.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 5.7104 1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0052 5.0555 0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 3.6510 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1878 2.8097 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 2.2070 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 2.2460 -2.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 0.8442 -2.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2119 0.3190 -3.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 1.1439 -4.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8728 1.2003 -6.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 2.1785 -6.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 2.0322 -7.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9156 2.1016 -8.1562 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 1.8410 -5.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.7509 -5.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8603 1.4874 -4.3370 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1317 2.4785 -3.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 2.3223 -2.1644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9716 2.1057 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1724 1.9826 -1.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 2.0355 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1092 1.0848 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5943 1.1905 1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0425 0.1743 2.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5089 0.4616 3.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9784 -0.6293 4.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5863 -0.3523 6.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0462 -1.5185 6.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2673 -2.2399 7.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 -2.0044 7.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9791 -3.1037 7.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 -2.9704 6.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6283 -1.7142 5.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -1.3875 6.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -2.4359 5.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7441 -2.5169 4.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 -1.1456 3.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4237 0.1491 -4.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -0.7970 -3.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5984 -0.2883 -3.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3203 -2.2137 -3.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 -2.6079 -2.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5604 -2.3164 -1.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3238 -2.6716 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 -2.5692 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0924 -3.6312 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -3.5843 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1679 -4.6551 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -4.6576 -2.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 -3.4577 -2.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9921 -3.2810 -4.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 -4.1898 -5.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3133 -5.5982 -5.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 -5.7014 -5.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -7.1511 -6.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 -7.9786 -4.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5698 -7.5183 -3.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 9.8743 6.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 8.5153 7.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4063 9.7056 8.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7047 7.1608 7.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 8.2306 8.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 9.7530 6.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 8.5461 4.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0547 6.0898 4.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 6.3557 5.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6201 7.5080 3.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0822 6.1948 1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 5.1032 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6629 4.1574 2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0472 6.7612 1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 5.5664 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 3.5698 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 3.2077 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5874 2.6995 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1266 1.5918 -1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 2.7170 -2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 2.8699 -2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 0.2344 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4207 -0.6987 -4.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 0.6094 -4.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 2.1715 -4.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 0.2332 -6.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 1.5881 -6.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 2.1279 -8.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4044 3.2157 -6.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 2.7083 -6.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8789 0.9516 -6.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 1.6017 -4.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 2.6417 -3.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5791 3.5306 -3.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 1.8655 0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 3.0663 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 1.2543 2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8393 0.0179 0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1373 1.0170 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8862 2.2125 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 0.0775 2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6855 -0.8540 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4142 0.5874 3.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9411 1.4513 4.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -1.5935 4.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0756 -0.7363 4.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1101 0.5400 6.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5264 -0.1431 6.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1295 -1.7487 6.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7294 -3.0975 8.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4882 -1.0386 7.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7076 -1.9368 8.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1463 -4.1170 7.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 -3.8898 6.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6926 -1.8241 4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2295 -0.8741 6.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1558 -1.2821 7.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 -0.3845 5.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8127 -2.2274 6.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -3.4294 6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 -3.1967 3.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2117 -2.8190 3.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2309 -0.4740 3.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 -0.7627 4.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4646 -1.2718 2.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3315 -2.6785 -3.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 -2.7594 -4.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1181 -3.7252 -2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7126 -2.1923 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -1.2201 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 -2.9099 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5879 -3.7669 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9682 -2.1371 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8637 -2.7114 1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 -1.5860 -0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 -4.6245 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -3.3721 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3549 -3.7462 0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7411 -2.5630 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 -4.7176 -0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 -5.6293 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2731 -4.9423 -2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -5.5337 -2.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3623 -2.4968 -2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 -3.3108 -2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -3.1711 -4.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3693 -2.1996 -4.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 -4.1286 -4.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6807 -3.7318 -6.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -6.0160 -6.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3783 -6.2625 -4.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8302 -5.2225 -6.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 -5.2655 -5.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2994 -7.5669 -6.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 -7.2414 -6.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5366 -8.1012 -4.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2548 -9.0271 -5.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -6.5600 -4.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -7.3227 -2.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2526 -8.2459 -3.5829 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 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 2 0 37 38 1 0 38 39 1 0 39 40 2 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 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 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 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 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 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