HMDB0007790 RDKit 3D DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0) 136135 0 0 0 0 0 0 0 0999 V2000 -10.9559 5.8152 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9954 5.1889 1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4389 3.8924 1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7640 2.7878 1.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 2.6044 0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3565 1.7206 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2559 1.0125 -1.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6627 0.9282 -0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3122 -0.2849 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8284 -1.4390 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4318 -1.8940 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3105 -3.0501 -1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4717 -3.1157 -2.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4761 -2.1467 -2.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0756 -2.4873 -2.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3662 -3.5180 -2.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8315 -4.7825 -1.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0794 -5.1792 -0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4896 -5.3711 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9094 -5.1963 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9552 -4.1733 2.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2809 -2.9257 1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8119 -1.7916 1.9512 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1394 -2.9684 1.0205 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 -2.0339 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5024 -1.2719 1.4626 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2354 -0.4255 2.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 0.5871 1.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 -0.3662 0.8125 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2674 -0.4515 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8549 -1.3540 1.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 0.4523 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 0.1150 0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 0.8313 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4844 0.7739 -1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6029 -0.6576 -1.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6591 -1.4507 -1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0288 -0.9261 -1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0779 -1.7561 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9488 -1.6497 0.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2380 -0.2153 1.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 0.1218 1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 1.4895 1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 2.5887 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 2.3341 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3685 3.1521 -1.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0268 4.4058 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5261 4.1713 -1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9736 2.9709 -0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4165 2.6879 -0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9125 1.5151 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1403 0.2795 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5846 -0.9374 0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0329 -1.2844 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0896 5.2011 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9611 5.9998 0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5268 6.8242 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0637 5.8996 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9620 5.2667 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3983 3.7970 2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2249 1.8661 1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7031 2.3420 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1257 3.6279 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3162 1.6072 -0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8598 0.4493 -1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1166 1.8263 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1468 1.1486 -1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4628 -0.1836 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6045 -2.2237 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2585 -2.3854 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6642 -1.1444 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0064 -3.8819 -0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5863 -4.0536 -2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8288 -1.7442 -3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4970 -1.2251 -1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4460 -1.6210 -3.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2394 -3.4860 -2.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8757 -4.7268 -1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6619 -5.5614 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9908 -5.3315 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7714 -5.6774 1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5435 -4.7834 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3302 -6.1664 1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0360 -3.9757 2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4879 -4.5528 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 -1.3308 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6129 -2.5518 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 -1.9980 2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7325 -0.9725 3.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3565 0.1204 3.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3643 1.2004 2.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6078 1.4743 0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 0.2376 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 0.2625 1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -1.0060 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 1.9028 0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1836 0.4038 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 1.2972 -1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4752 1.2393 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8567 -0.5885 -2.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6285 -1.1899 -1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 -1.6660 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6309 -2.4818 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 0.1155 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2553 -0.9303 -2.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8052 -2.8237 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 -1.5792 -0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 -2.3058 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 -1.9144 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0338 -0.2215 2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5122 0.4882 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9764 -0.1778 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -0.5710 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9278 1.7079 2.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2102 1.5389 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 3.5487 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3615 2.6023 0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2514 1.4414 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4772 2.8909 -2.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7281 5.1931 -1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8017 4.8007 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 3.9402 -2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 5.0405 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3381 2.1045 -0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7305 3.1406 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9890 3.5844 -0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6515 2.5834 -1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9857 1.3528 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7595 1.7279 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2491 0.0581 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0731 0.4537 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9358 -1.7896 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4063 -0.8302 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6637 -0.6509 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1790 -2.3591 0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3435 -1.1650 -0.8328 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 26 29 1 0 29 30 1 0 30 31 2 0 30 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 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 0 25 87 1 0 26 88 1 1 27 89 1 0 27 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M END