HMDB0045674 RDKit 3D TG(20:0/14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) 163162 0 0 0 0 0 0 0 0999 V2000 5.0698 -1.8822 5.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 -2.3393 4.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 -3.2916 4.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 -3.7600 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 -2.6306 1.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 -2.5323 0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 -3.4511 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1825 -2.7652 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 -3.6591 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 -2.7682 1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -3.4596 0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7525 -2.7504 1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9175 -2.5808 2.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8169 -1.9266 3.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 -2.5945 4.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 -0.5306 3.7184 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4674 -0.0527 4.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 0.2433 5.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 1.3071 5.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9355 1.6106 5.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5567 0.8030 4.7495 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5124 2.9408 5.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3492 3.4584 4.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 3.4912 3.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0726 4.0635 2.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5736 5.1375 1.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3608 5.8432 1.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4791 7.2942 2.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7573 8.1618 1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 7.7507 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0435 8.4093 -0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1827 9.1639 -1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 9.5172 -1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 9.1280 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8295 8.3706 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 7.8272 -0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9923 8.3171 -0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 7.7217 -2.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 8.2215 -2.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8787 7.6499 -3.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2085 1.2630 3.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 1.1766 2.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3423 2.3417 1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9531 3.3694 2.1912 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6231 2.5046 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5365 2.4906 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8078 1.1797 -1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2454 1.3192 -2.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 -0.0235 -2.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9424 0.0889 -3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6081 -1.1946 -3.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2921 -1.8572 -2.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9986 -3.1331 -3.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 -4.1766 -3.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 -5.4333 -3.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5019 -6.0989 -2.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 -6.5347 -1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -7.5347 -2.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7301 -7.9580 -0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 -8.9560 -1.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1543 -9.3536 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -9.9814 0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -10.3629 2.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8503 -2.4253 6.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4018 -0.8018 5.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0991 -1.8990 6.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9507 -1.4511 3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9552 -2.9189 4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -2.7568 4.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 -4.1308 4.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 -4.5490 2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -4.2071 2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -1.8460 1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 -1.6133 0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5736 -4.4201 1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4794 -3.7445 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1196 -1.9020 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 -2.3437 1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 -3.9164 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 -4.5327 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 -1.9872 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -2.2460 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 -3.6515 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 -4.4844 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6937 -3.1832 0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6768 -1.6936 1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8678 -1.9519 3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1777 -3.5578 3.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 -0.7429 4.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 0.4877 6.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2937 -0.6891 6.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1694 2.8005 6.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7403 3.6820 6.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7631 4.4450 4.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1528 2.7387 4.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3542 2.3617 3.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4658 3.8392 3.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9781 3.6353 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1238 5.4951 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 5.4773 3.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 5.5576 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1835 7.6672 2.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8975 9.2130 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7963 7.5366 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1705 6.6507 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0591 8.2128 -1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 9.5852 -2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 10.7012 -0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0918 9.4451 -1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 9.4621 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 8.1240 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6335 6.6971 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 7.9936 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 7.9956 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 9.4157 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 6.6052 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 8.0305 -3.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 7.9354 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1865 9.3272 -2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 7.4574 -4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 8.3495 -3.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4298 6.7106 -3.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 1.6451 3.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9475 2.0068 4.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 1.7314 -0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2359 3.4671 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7931 3.3292 -0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 2.7184 -1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2728 0.9816 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 0.4117 -1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 1.6405 -3.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9713 2.1017 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -0.8200 -2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4337 -0.2642 -1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7424 0.7882 -3.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5473 0.5615 -4.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9012 -1.9002 -4.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3935 -0.9547 -4.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 -1.1904 -2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 -2.1992 -1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8106 -2.9496 -3.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4935 -3.5807 -2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2131 -4.4058 -2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6294 -3.7755 -4.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5172 -5.2686 -4.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -6.1277 -4.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9776 -7.0243 -3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 -5.4313 -2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1631 -5.6800 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 -7.0392 -0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 -8.4563 -2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 -7.1214 -2.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 -7.0589 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 -8.3478 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1395 -9.8808 -1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 -8.4874 -2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9705 -10.0640 -0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 -8.4408 0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0943 -10.9458 0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 -9.3909 1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -10.9460 2.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1162 -10.9568 1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 -9.4919 2.6291 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 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 17 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 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 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 22 92 1 0 22 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 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 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END