HMDB0252486 RDKit 3D Fraxin 44 46 0 0 0 0 0 0 0 0999 V2000 -4.8350 3.3112 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 2.9028 -0.9311 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0688 1.6293 -0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8423 0.7661 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -0.5133 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1264 -1.3933 1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 -2.6506 1.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3979 -2.9692 0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9854 -4.1437 1.1602 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -2.1243 0.1973 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1119 -0.9166 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3202 -0.0308 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0752 -0.4562 -1.2429 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -0.2769 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 0.4876 -1.0943 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 0.9715 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 1.2648 -0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 1.7455 0.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 0.0452 0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3905 0.2197 1.6049 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0716 -1.3714 0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0671 -1.6659 -0.4024 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7075 -1.6194 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 -2.4154 -1.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8214 1.2250 -1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 2.1160 -1.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0434 4.3106 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 2.6315 -0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 3.3692 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8374 1.0149 0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0959 -1.0693 1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2442 -3.3642 1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7853 0.2310 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5933 1.9409 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0344 2.0581 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6756 0.3645 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0707 1.3066 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 0.1975 1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 1.0588 2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1734 -2.0786 1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3543 -2.6206 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 -2.0650 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 -3.3230 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 1.8994 -2.1641 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 12 25 2 0 25 26 1 0 25 3 1 0 11 5 2 0 23 14 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 7 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 23 42 1 0 24 43 1 0 26 44 1 0 M END