HMDB0299935 RDKit 3D DG(i-19:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0) 124124 0 0 0 0 0 0 0 0999 V2000 17.2397 -1.4925 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7972 -1.0317 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6672 0.3267 -0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2734 1.3683 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9021 1.3920 1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4583 1.8496 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0530 1.8929 3.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5221 0.8427 2.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0307 1.0063 2.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7817 0.9298 0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0230 0.0599 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3089 -0.9825 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7764 -2.2911 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9868 -3.1595 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5370 -2.9795 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3103 -3.1042 -1.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8025 -2.1649 -2.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3699 -0.8513 -2.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -0.7105 -2.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9982 -0.5190 -1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -0.4222 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 0.9353 0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 1.2211 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 2.3448 0.6205 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 0.3368 -0.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 0.7197 -0.4421 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1383 0.6976 -1.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 -0.5734 -2.4632 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 -0.3217 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 0.0676 0.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 1.2215 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 1.9637 1.2342 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0806 1.5970 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 2.7984 1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3534 2.4592 2.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3834 1.5409 3.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7778 1.9461 3.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5989 2.3204 2.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7992 1.2096 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6725 1.8068 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9091 0.7601 -0.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6354 -0.4491 -0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8234 -1.4606 -1.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6127 -0.8975 -2.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9793 -0.3977 -2.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8767 -1.4413 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2031 -0.7872 -1.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1992 -1.7370 -0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4775 -0.9513 -0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7065 -2.2955 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3863 -2.5206 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8856 -0.8080 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5371 -1.4405 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3725 -1.1801 1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1978 -1.7273 -0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9100 0.4850 -1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2175 2.3323 -0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0694 0.4182 2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5761 2.1084 2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0999 2.6660 1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9084 -0.1652 2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7927 2.0863 2.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4166 0.4167 2.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3054 1.7069 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9312 0.1213 -1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3938 -0.9124 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2328 -0.8279 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8539 -2.5745 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3690 -4.1522 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0539 -2.1590 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0732 -3.9211 0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6096 -4.0786 -2.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6668 -2.3333 -3.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 -0.5962 -1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 -0.0921 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -0.7820 -3.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 -0.4282 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2274 -0.7363 0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -1.1384 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4975 1.7454 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 0.9562 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 1.7422 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1551 1.0712 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5797 1.3796 -2.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 -0.9244 -2.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 -0.5382 1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6787 -1.2443 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2673 1.7719 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6812 0.7106 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 3.5394 1.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 3.3307 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3578 1.9517 2.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2642 3.3983 3.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0581 1.1357 4.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3442 0.5991 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3137 1.0769 3.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8109 2.7457 4.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3349 3.2433 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6442 2.5628 2.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8742 0.9249 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2962 0.3291 1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1705 2.6597 -0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6304 2.1729 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4203 1.1988 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8954 0.4674 -1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6166 -0.1139 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1254 -0.9343 0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2836 -2.4045 -1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8227 -1.7448 -1.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0454 -0.0822 -3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7116 -1.6923 -3.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8643 0.4855 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4631 -0.0538 -3.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4740 -1.8143 -0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0144 -2.2372 -2.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0714 0.0743 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6775 -0.3979 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4339 -2.5749 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6131 -0.2931 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3279 -1.6585 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4127 -0.3436 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7827 -1.7213 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4175 -3.3568 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4774 -2.1626 1.2926 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 1 0 31 32 2 0 31 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 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 8 6 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 26 82 1 1 27 83 1 0 27 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 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 49119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END