HMDB0007263 RDKit 3D DG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 13.6006 -3.9891 2.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 -2.6905 1.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3123 -3.0074 0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6311 -1.8816 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3652 -0.7145 -0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1146 0.1636 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8213 1.4319 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6993 2.1547 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2146 3.2552 -0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9921 3.3887 -2.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1788 2.4415 -3.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0768 3.2449 -3.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8151 3.0579 -3.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2761 2.0381 -2.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5558 2.8234 -1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 2.6711 -1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4185 1.7521 -1.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 0.7666 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1114 1.4921 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 2.2679 -0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8656 1.3621 -0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 0.4110 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0193 -0.7095 0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4654 0.7993 1.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 -0.0381 2.1659 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4394 0.6102 3.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1618 1.8453 3.5915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 -0.2719 2.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 -0.8730 0.8975 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1337 -1.3174 0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8539 -1.1270 1.7193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5463 -1.9394 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8294 -2.6724 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0333 -1.8961 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2314 -2.8248 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4915 -2.1445 0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3077 -1.4767 1.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5836 -0.8567 2.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6070 -1.8614 2.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7829 -1.8650 2.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2387 -0.8303 1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4215 -0.1103 1.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6000 -0.0915 1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9796 -0.7632 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5178 0.2580 -1.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5686 1.3231 -1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3442 0.7911 -2.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7695 0.0335 -3.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9931 -4.8267 2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5935 -3.9705 3.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6510 -4.0358 2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8115 -1.9922 1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2181 -2.3171 2.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0254 -3.5464 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5408 -3.8381 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9662 -2.3280 -0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8963 -1.4763 0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1860 -1.1673 -1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7694 -0.1568 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0196 -0.1536 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4424 2.0501 1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0677 2.6663 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0297 1.4468 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8269 4.0010 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4209 4.2504 -2.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7788 1.5841 -2.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8403 2.1530 -3.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 4.0509 -4.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0582 3.6862 -3.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6452 1.2976 -2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 1.4377 -1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1640 3.5554 -0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7994 3.2982 -0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 2.3106 -2.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7963 1.1575 -2.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3157 -0.0520 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7838 0.3308 -0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 2.1339 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7245 0.7344 0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 3.0961 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 2.7354 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2565 0.8126 -1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 1.9887 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 -0.9794 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 0.6091 3.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.0596 4.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 2.5982 3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7579 -0.9003 3.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9431 0.7330 2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5782 -1.1661 -1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 -2.6141 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 -3.5538 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0031 -3.2017 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8791 -1.2806 0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2974 -1.2193 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3663 -3.3365 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0350 -3.6544 0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6976 -1.3231 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3449 -2.8278 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8337 -2.1543 2.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5966 -0.6370 1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2603 -0.4874 3.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8405 0.0340 1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2959 -2.6670 3.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5009 -2.6791 2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4994 -1.3543 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4650 -0.1011 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2737 0.4428 2.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3836 0.4987 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8151 -1.5008 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1860 -1.2975 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9104 -0.2460 -1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4136 0.7642 -0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2873 2.0066 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1016 1.9696 -2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7057 1.6240 -2.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7271 0.1167 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2997 -0.9035 -3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4848 0.7193 -3.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9207 -0.1282 -4.1198 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 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 25 28 1 0 28 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 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 6 26 85 1 0 26 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END