HMDB0043743 RDKit 3D TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/15:0) 157156 0 0 0 0 0 0 0 0999 V2000 3.4603 4.9487 0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 5.9586 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 7.1090 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5661 7.4788 -1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7812 6.7992 -2.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 7.7345 -3.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5157 7.5464 -4.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4493 6.3883 -3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6394 5.6944 -5.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 4.4440 -5.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 3.5314 -4.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7433 2.3966 -4.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3508 1.1635 -4.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0001 0.7416 -4.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 0.0741 -6.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7715 -1.1640 -6.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -2.0185 -5.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8738 -2.4555 -5.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -3.3138 -4.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 -2.8349 -3.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 -2.4132 -2.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3352 -2.0774 -0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 -1.5636 -0.1016 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 -2.3485 -0.7167 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 -2.0500 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5496 -0.9217 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 -0.4217 1.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -0.9288 1.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9523 -1.9889 1.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 -0.1097 2.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4523 -0.6045 3.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3968 -0.5297 2.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5128 0.8719 1.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4021 0.9998 0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0086 0.1819 -0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7008 0.2758 -1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1305 1.4937 -1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9215 2.6889 -1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 3.8005 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7177 4.4731 -3.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8468 3.7853 -4.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5005 3.2257 -4.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6847 2.5246 -6.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 -3.2155 1.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -4.2669 1.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 -5.1262 0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3663 -5.0457 -0.4239 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2117 -6.1923 1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4318 -7.4884 1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -8.6006 2.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 -8.4394 3.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4822 -8.3482 4.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -7.2815 4.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -7.2415 5.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 -6.8666 6.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -5.4708 6.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7463 -5.0553 7.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3146 -3.6946 7.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 -3.1685 8.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5377 -2.9926 10.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 -4.2058 10.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 3.9603 0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 4.8474 1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 5.3444 1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 5.4207 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 6.3933 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9196 7.6662 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 8.3594 -1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3478 5.8758 -2.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 6.5497 -2.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 8.6616 -3.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 8.2884 -4.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 5.7948 -3.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4692 6.8149 -3.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0611 6.3150 -6.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 4.0469 -6.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8082 3.1987 -4.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7325 4.0495 -3.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7827 2.5654 -3.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 0.3632 -4.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 0.0936 -4.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 1.5934 -5.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 0.6892 -6.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 -1.5757 -7.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 -1.7595 -4.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8787 -3.0122 -5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -2.9747 -6.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2536 -1.5227 -5.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 -3.7473 -5.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 -4.2751 -4.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 -1.9947 -3.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1927 -3.6455 -2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 -3.1176 -2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 -1.4072 -2.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 -1.6383 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8613 -0.0592 -0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 -1.1984 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 -0.3367 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9928 0.9554 2.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3427 -1.6508 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7821 -0.0106 4.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4123 -0.8047 2.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1475 -1.2969 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0326 1.4514 2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5378 1.3703 1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4313 0.6299 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6086 2.0346 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1544 -0.9027 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8293 0.2493 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -0.1525 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6502 -0.5199 -2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1673 1.2288 -2.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8090 1.8067 -2.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8671 3.1480 -0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2816 2.4260 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 3.4799 -2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9595 4.6274 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7698 4.9091 -2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1456 5.4438 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6051 3.0551 -4.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0303 4.6387 -5.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 2.5563 -4.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7897 4.0775 -4.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6529 1.9890 -6.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 1.7259 -6.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5418 3.2124 -6.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -3.5777 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6556 -2.8609 2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -6.3129 0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 -5.8938 2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6128 -7.4312 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -7.7661 0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0644 -8.8430 1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 -9.5010 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 -7.5867 3.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -9.3515 3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -8.1879 5.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -9.3623 4.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -7.5981 3.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 -6.3007 4.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8753 -8.2389 5.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2269 -6.4994 5.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0961 -7.5960 7.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 -6.7695 7.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6219 -5.5121 5.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8498 -4.7182 6.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 -5.0461 8.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5124 -5.8008 8.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -3.6994 6.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4913 -2.9713 7.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0811 -3.8166 9.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 -2.1563 8.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6851 -2.2397 10.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 -2.4594 10.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0228 -4.3441 10.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4715 -4.1278 11.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -5.1079 10.5159 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 2 0 28 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 25 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 48129 1 0 48130 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 61157 1 0 M END