HMDB0053474 RDKit 3D TG(20:2n6/18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -6.9706 -6.9439 3.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0001 -5.7801 3.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6828 -4.5070 3.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7637 -3.3319 3.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4662 -2.0443 2.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5222 -0.9294 2.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6334 0.1178 3.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7692 0.3601 4.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3732 1.6404 3.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4277 2.6648 4.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9235 2.6764 6.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9079 3.7140 6.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6699 3.4611 6.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0953 2.1813 7.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 1.6372 6.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2563 2.1545 5.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4081 3.4020 4.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 3.2586 3.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 2.5204 2.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 2.4162 1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4259 3.0446 0.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 1.6042 0.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 1.5512 -1.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1095 1.0307 -1.5987 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3789 -0.4123 -1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9398 -0.7111 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 -1.9011 0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7144 -2.8328 0.1948 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -2.0665 2.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -1.4742 3.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 -1.7566 4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 -1.3123 3.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3922 -1.3610 4.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 -0.9283 4.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 -1.9381 2.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0114 -1.7008 1.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0184 -2.9834 1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -3.2467 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1941 -3.3063 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.1085 -1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 -4.3694 -2.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4821 -4.4972 -3.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -3.4407 -4.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5564 -3.2705 -5.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9831 -2.8262 -5.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0588 -1.4394 -5.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2707 -0.4568 -5.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2129 1.2801 -2.9993 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1754 2.0808 -3.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0135 2.5810 -2.6829 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3716 2.4485 -4.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0916 2.4809 -5.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1123 3.4004 -5.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1649 3.6620 -5.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0325 4.4969 -5.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 4.2612 -4.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9399 3.0184 -5.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0629 3.6278 -6.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2811 3.3485 -5.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7904 2.3791 -4.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 1.4316 -5.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9004 1.2543 -5.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6997 1.9028 -4.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4954 0.8834 -3.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7044 -0.1683 -3.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6839 0.2288 -2.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 -1.0615 -1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4146 -7.8680 3.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7254 -6.7213 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4733 -7.1284 4.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -6.0102 2.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7127 -5.7160 4.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5615 -4.3768 3.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9925 -4.6804 2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4451 -3.1565 4.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 -3.4884 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6655 -2.2544 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4368 -1.9085 3.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6372 -0.9607 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 0.9243 3.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5413 -0.4453 4.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3165 0.3388 5.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7913 1.7797 2.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8946 3.6118 4.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6889 1.6993 6.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8338 3.0517 6.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1504 4.7845 6.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 4.3576 6.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7465 2.2612 8.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8707 1.3632 7.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 0.5907 6.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3838 1.4950 5.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4101 3.9683 4.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1337 4.1404 5.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 2.7069 2.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5411 4.2931 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 3.0555 2.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 1.5449 3.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6494 2.5469 -1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 0.9197 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 1.5927 -1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 -0.6047 -1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.0911 -2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1077 -3.1050 2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 -1.4562 1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 -0.4357 3.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -2.0716 3.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -2.8059 4.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -1.1250 5.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 -2.1718 3.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 -0.3485 3.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6131 -2.3282 5.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 -0.5979 5.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 0.1044 3.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -1.0190 4.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8537 -2.9843 3.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9231 -1.8068 2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 -1.5813 2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8173 -0.8124 1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 -2.9143 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3209 -3.8272 1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 -3.4679 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -3.5129 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5692 -2.2632 -2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -2.8869 -1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -5.2625 -2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5215 -5.5069 -4.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 -2.4807 -4.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -3.7420 -4.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 -4.2188 -6.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 -2.4470 -6.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4787 -2.7672 -6.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 -3.5525 -5.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6153 -1.4035 -4.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0924 -1.0897 -5.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 -0.2618 -5.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2368 -0.9481 -7.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 0.4553 -6.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9922 1.6488 -5.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9301 3.3991 -5.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3048 2.8934 -6.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 1.4998 -5.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 2.9485 -4.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 4.3845 -4.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1425 4.3019 -6.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 2.7226 -6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 5.4187 -4.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 4.9101 -4.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3763 2.4215 -5.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3354 2.5306 -4.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7366 4.3572 -6.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0529 3.8392 -6.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0457 1.7821 -4.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4486 2.9362 -4.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1486 0.8755 -6.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4451 0.5614 -6.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0931 2.4344 -3.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4607 2.5984 -4.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0145 1.4928 -2.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3071 0.4846 -4.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3661 -0.9666 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1483 -0.7316 -3.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1215 0.7611 -1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8975 0.8226 -2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 -1.9362 -1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 -1.1575 -1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9993 -1.0613 -0.4150 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 1 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 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 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 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END