HMDB0053639 RDKit 3D TG(20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 175174 0 0 0 0 0 0 0 0999 V2000 -3.2295 2.8419 -4.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 2.5177 -2.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 1.6938 -1.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4787 0.5133 -1.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1751 -0.1312 -1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 -1.5047 -2.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9539 -2.4737 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -2.1084 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9731 -2.3173 1.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -2.8765 1.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 -3.5037 0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -2.6571 1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3655 -3.2643 1.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5475 -4.6201 1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9532 -5.4045 2.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4013 -5.1440 4.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6073 -3.8762 4.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2066 -2.6130 4.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3533 -1.6998 4.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5785 -1.9651 5.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 -1.9670 5.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5567 -0.7975 4.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2259 0.2862 4.7378 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2071 -0.6773 4.5301 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 0.5290 3.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4652 0.7364 3.4893 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6143 0.3870 4.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8691 0.1416 3.8822 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 -0.1447 4.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0273 -0.1795 5.8067 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3182 -0.4620 3.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3305 0.6112 4.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0769 1.9302 3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2237 2.2637 2.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6187 1.6111 0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 0.2975 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 -0.0556 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 -1.3245 -1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4687 -2.4276 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5297 -3.7406 -0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 -4.7020 -0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6286 -4.5174 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8966 -5.5050 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2752 -6.3996 1.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8143 -6.7334 1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 -6.4672 2.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4144 -6.8513 2.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2737 -6.7040 3.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3929 -5.2613 4.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 1.9481 2.9449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 2.9080 2.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 2.5266 1.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5728 4.3216 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 5.2749 1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 6.6869 1.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0395 7.3143 0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4545 7.1978 -0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 5.9030 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 5.6348 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 6.5713 -3.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1895 6.4677 -4.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6895 5.8651 -5.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 5.3339 -4.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 3.8947 -4.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 3.0933 -5.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 3.5336 -5.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6013 3.2590 -7.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 2.6119 -8.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 1.8169 -8.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3593 0.3788 -8.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5904 -0.5394 -8.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 -0.3149 -7.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -0.7883 -5.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0046 3.6785 -4.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 3.2589 -4.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6525 2.0021 -4.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8925 3.5281 -2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7888 2.2370 -2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8736 2.0493 -1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2742 -0.0394 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 0.0369 -0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6578 0.3910 -2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -1.7437 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0839 -3.4421 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 -2.7626 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 -1.1315 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3137 -1.9177 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2774 -2.8768 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2026 -4.5355 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -3.6195 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1761 -1.6159 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2708 -2.5439 1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8831 -5.2773 1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5537 -4.8468 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8877 -6.5870 2.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6008 -6.0634 4.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3152 -3.9606 5.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7971 -3.7683 4.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8248 -2.1693 3.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1621 -0.7659 4.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8109 -2.8872 6.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7386 -1.1021 6.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -2.0256 6.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7503 -2.9175 5.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 1.3349 4.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 0.7341 3.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1963 -0.0241 2.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2305 -0.4884 5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 1.2359 5.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7608 -1.3518 4.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 -0.8801 2.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3094 0.1661 3.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6383 0.6978 5.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 2.1465 3.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 2.7761 4.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 3.4283 1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3724 2.3811 1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5112 1.3509 1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.3491 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 0.4975 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2424 -0.4404 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 -0.0772 -0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1854 0.8301 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 -1.2901 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7123 -1.5787 -2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 -2.3093 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 -2.2947 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2634 -3.9869 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -5.6370 -1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6233 -4.7267 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -3.5316 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 -5.4039 1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -7.0614 2.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 -7.8173 1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4387 -6.2038 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -7.0092 3.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1903 -5.3952 3.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5033 -7.8931 2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 -6.1954 1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9033 -7.3234 4.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3122 -7.0556 3.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3711 -5.2297 5.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 -4.8864 4.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6126 -4.5950 3.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3302 4.5466 3.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6977 4.4081 2.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 5.0245 0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 5.3626 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2288 7.0426 2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 8.3728 1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 7.4086 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 8.0187 -1.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 5.0187 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 4.5687 -2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 6.7439 -2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 7.6512 -2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 6.8560 -4.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5534 5.7679 -6.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 5.8281 -5.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 5.5537 -3.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 3.3865 -4.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 1.9867 -5.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1798 4.6568 -5.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 3.1622 -5.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6266 3.7980 -7.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 2.6225 -9.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 2.1323 -9.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 1.9159 -7.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 0.0213 -9.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9084 -1.6220 -8.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 0.7358 -7.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5441 -0.8722 -7.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3689 0.0752 -5.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1614 -1.1035 -5.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8725 -1.6103 -5.6276 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 2 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 1 0 29 30 2 0 29 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 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 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 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 70 71 2 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 49144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 68166 1 0 69167 1 0 69168 1 0 70169 1 0 71170 1 0 72171 1 0 72172 1 0 73173 1 0 73174 1 0 73175 1 0 M END