HMDB0053576 RDKit 3D TG(20:2n6/18:4(6Z,9Z,12Z,15Z)/20:2n6) 169168 0 0 0 0 0 0 0 0999 V2000 1.6700 6.9634 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 6.0382 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 4.7173 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 4.1299 -1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0928 4.7419 -0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8938 3.8272 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4576 4.1046 0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5451 5.2985 1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0088 6.5730 1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0592 7.1501 2.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4129 6.6003 3.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6739 7.4395 4.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7684 8.0082 5.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3255 7.9151 5.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 7.3345 6.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9496 5.9135 6.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4861 5.0683 5.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7679 3.6219 5.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4819 3.2358 6.5037 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2803 2.6551 4.6916 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 1.2688 4.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3592 0.7149 3.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 0.7606 2.4875 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 0.2601 1.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6596 -0.1976 1.6668 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 0.2180 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -0.4330 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 -0.6381 -1.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3371 -1.2647 -1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3443 -2.5540 -0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5746 -3.6780 -1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 -4.1009 -2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 -4.5948 -2.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7592 -5.8302 -1.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0499 -7.0292 -2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -7.6926 -1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 -7.3389 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 -7.1185 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3489 -7.7517 1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 -8.8272 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3847 -8.4215 3.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8492 -8.1597 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -7.7661 4.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6351 -7.4909 5.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 0.5046 5.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 0.5962 4.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9412 -0.0438 5.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6761 -0.6690 6.3121 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 -0.0590 4.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5225 0.4140 3.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0394 0.3626 3.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4598 0.7900 1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -0.0616 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4575 0.5215 -0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 -0.2789 -1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6303 0.4576 -3.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3438 -0.2308 -4.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9503 0.6072 -5.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3377 1.1724 -6.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 0.9866 -6.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2445 2.3475 -6.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 2.8723 -7.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 2.2332 -8.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 2.1248 -9.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 1.3158 -8.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5236 -0.1181 -7.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1879 -0.9118 -6.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7929 6.3957 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 7.3095 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 7.8288 -0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 6.5947 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 5.9853 0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6932 4.1533 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7437 3.1031 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0609 5.7225 -0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5203 4.8032 -2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9939 2.7853 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0216 3.1787 1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7146 5.4981 1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3736 5.0379 2.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4361 7.0973 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 8.1354 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 5.5884 3.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 6.6049 3.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 7.6009 4.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 8.6310 6.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 8.9973 5.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 7.4915 4.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 8.0147 7.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5085 7.3457 5.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 5.8612 6.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 5.6134 7.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 5.2622 5.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 5.3923 4.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3183 1.2290 5.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3597 1.2072 3.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6122 -0.3691 3.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9774 1.2285 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7226 -0.3627 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 -1.4512 0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 0.1813 0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6811 -1.1714 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 0.3697 -1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7617 -1.3455 -2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9404 -0.5002 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 -2.4110 0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 -2.8884 -0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 -3.5010 -1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6801 -4.5531 -0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 -4.7933 -2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0594 -3.1794 -3.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7002 -4.8718 -3.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -3.8041 -2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 -6.0397 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -5.5557 -0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1577 -7.4209 -3.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7328 -8.6094 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2223 -8.2281 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -6.5092 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -6.3193 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4124 -7.4436 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0655 -9.0781 2.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6028 -9.7642 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7944 -7.5147 3.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 -9.2643 4.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -7.3954 2.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4093 -9.0993 3.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 -6.8354 5.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8258 -8.5342 5.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -7.2647 6.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9192 -6.5615 4.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 -8.3379 4.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7059 -0.5947 5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2698 0.6003 6.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9251 0.6071 5.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -1.0507 4.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2547 1.5078 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -0.1550 2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5056 1.0972 3.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -0.6116 3.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2297 1.8738 1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5854 0.7540 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3595 -1.0943 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 -0.1050 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5800 0.4564 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2197 1.6050 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9699 -0.4263 -2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5407 -1.2735 -1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7173 0.5444 -3.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1256 1.4320 -3.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2985 -0.4769 -4.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9618 -1.1933 -4.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0305 0.7717 -5.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 1.7885 -7.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 0.5270 -7.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3705 0.3934 -5.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3944 2.9550 -5.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1204 3.8894 -7.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 2.9724 -9.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 1.2836 -9.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 3.1532 -9.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5193 1.6768 -10.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 1.3578 -8.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 1.8058 -7.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1907 -0.5912 -8.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5951 -0.2427 -7.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2615 -0.6125 -6.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -1.9707 -7.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2193 -0.7465 -5.9028 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 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 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 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 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 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 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 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 55148 1 0 56149 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 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