HMDB0053762 RDKit 3D TG(20:3n6/18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -4.3639 -2.6062 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8643 -3.3211 1.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0304 -2.3736 2.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 -1.6554 3.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7479 -2.6617 3.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 -2.0135 4.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 -2.0655 3.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -2.7964 2.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8479 -1.8389 1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 -1.4578 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -1.9921 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 -1.0800 -0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 0.1635 -0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 1.1336 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 2.2932 -0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 2.7209 -1.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8945 2.3148 -1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 2.0792 -2.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 0.8943 -3.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -0.3693 -2.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 -0.2424 -1.9803 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -1.6395 -3.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8682 -2.6858 -2.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3122 -4.0390 -2.4801 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4154 -4.9836 -1.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8986 -4.4834 -0.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -4.2727 0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0463 -4.5712 0.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 -3.6961 1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5147 -2.3393 1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2263 -1.6438 2.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3897 -2.3877 2.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1351 -1.6681 3.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7133 -0.3395 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4858 0.3200 4.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2901 1.4877 5.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1979 2.4352 4.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7739 3.7060 4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5816 4.2478 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 3.6303 2.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6024 4.5235 1.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 4.3194 1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 3.0873 2.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 3.3739 3.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4759 2.0613 4.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 2.4227 5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 1.1937 6.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 -4.4414 -3.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 -4.7662 -4.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2043 -4.6348 -3.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -5.2481 -5.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4446 -4.9365 -5.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6345 -3.4300 -5.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 -3.1051 -5.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3151 -1.5991 -5.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7678 -1.3003 -5.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0975 0.1618 -5.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2214 0.9789 -4.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5707 2.4841 -4.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5892 3.2062 -3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8382 3.9603 -2.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2132 4.1874 -2.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4537 5.6952 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7805 6.1334 -1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8541 5.7748 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1593 6.2098 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1942 5.8448 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -3.1018 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1286 -2.5910 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1376 -1.5533 0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8294 -3.8677 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1025 -4.0955 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7806 -1.5928 2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5097 -2.9422 3.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 -0.9642 2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0292 -1.0261 3.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5025 -3.3672 2.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1463 -3.3252 4.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 -1.3975 4.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -1.5374 4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 -3.3180 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 -3.6160 2.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 -1.3629 2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 -0.7516 -0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0466 -2.4038 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 -2.9327 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 -1.5940 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6593 0.5970 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5256 1.4892 0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 0.8402 0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5533 2.8269 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 3.6575 -1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0797 1.4531 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 3.1806 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3573 3.0241 -3.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5985 2.0122 -2.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3547 0.9862 -4.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8969 0.8405 -3.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2074 -2.3882 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8121 -2.6772 -3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 -4.1813 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -5.9567 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 -5.0581 -2.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -3.6703 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8082 -4.3728 1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 -1.7151 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1965 -2.5108 0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5508 -1.3912 3.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 -0.6606 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1606 -2.5680 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1455 -3.4062 3.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5119 -1.5253 4.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9816 -2.3119 4.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8684 0.2880 3.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3612 -0.4854 2.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3574 -0.2496 4.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 1.8663 5.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4767 1.9412 4.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7501 2.7214 5.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4387 4.2305 4.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0696 5.2037 2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3958 2.6562 2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 3.5196 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8827 5.4934 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 5.0795 1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0204 2.6967 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 2.3350 2.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6053 3.9204 4.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 4.0102 3.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8616 1.5119 3.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 1.4537 4.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8505 3.1193 5.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 2.9155 6.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8783 0.8248 6.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9586 0.4392 5.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 1.4554 6.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 -4.7146 -6.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1705 -6.3305 -5.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -5.3746 -4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 -5.3236 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0621 -2.9858 -4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 -2.9721 -6.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4564 -3.5025 -4.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6315 -3.6222 -5.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0357 -1.3013 -6.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6693 -1.0677 -4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9911 -1.6250 -3.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3815 -1.9432 -5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 0.4738 -6.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1766 0.3061 -4.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 0.8665 -4.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4058 0.7324 -3.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6201 2.5948 -4.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4919 2.7228 -5.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 3.0811 -3.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9879 4.4802 -2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0043 3.7300 -2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3211 3.8301 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 6.1771 -1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3328 5.9350 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6355 5.7178 -2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7853 7.2583 -1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0028 6.1683 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 4.6584 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2505 7.3213 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9725 5.6611 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6730 4.8660 2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7649 6.5793 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1464 5.7846 2.3055 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 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 2 0 49 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 2 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 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 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 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 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END