HMDB0030838 RDKit 3D Feniculin 33 33 0 0 0 0 0 0 0 0999 V2000 5.4253 0.2871 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 -0.6717 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0193 -0.9250 0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -0.3884 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4701 0.3348 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1819 0.8789 -0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 0.7042 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 1.2671 -0.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2685 1.2935 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 -0.0629 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0224 -0.3410 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7413 0.7465 -0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 -1.7083 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 -0.0364 1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -0.5661 1.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5517 0.5512 -0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 -0.0832 -1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9783 1.2690 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 -1.2168 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 -1.6977 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1754 0.5095 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 1.4534 -1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 1.9431 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2728 1.7723 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3327 -0.8288 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9671 1.6000 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7161 0.3599 -1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 1.0294 -1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6789 -1.7110 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0401 -2.3592 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3745 -2.0908 1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3195 -0.1885 1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -1.1239 2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 7 14 1 0 14 15 2 0 15 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END