HMDB0252309 RDKit 3D Floctafenic acid 35 37 0 0 0 0 0 0 0 0999 V2000 -4.5395 2.0372 1.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 1.5790 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3119 2.2790 1.5197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4053 0.3368 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6209 -0.3352 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6861 -1.5302 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5452 -2.1435 -0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3473 -1.5047 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -0.2773 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 0.3852 0.0635 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 -0.2768 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 -1.5855 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6473 -2.1763 0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -1.4856 0.1797 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 -0.2054 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 0.4313 -0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1487 -0.3165 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 -0.7432 0.8444 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 -1.3679 -1.3320 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 0.5025 -0.8622 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7883 1.7398 -0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5759 2.3832 -1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 1.7049 -0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4241 0.3972 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 3.2434 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5318 0.1124 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -2.0463 -0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6212 -3.0916 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4754 -1.9701 -1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 1.4218 0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 -2.2119 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 -3.2076 0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7123 2.2382 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 3.4147 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4947 2.2689 -0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 16 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 9 4 1 0 24 11 1 0 24 15 1 0 3 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 10 30 1 0 12 31 1 0 13 32 1 0 21 33 1 0 22 34 1 0 23 35 1 0 M END