HMDB0029527 RDKit 3D Melilotocarpan B 35 38 0 0 0 0 0 0 0 0999 V2000 6.1230 0.2295 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9719 1.0223 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 0.5085 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 -0.8009 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 -1.2278 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 -0.3714 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 0.9457 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6122 1.3716 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8684 2.6751 -0.4013 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 1.7684 -0.1607 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 1.6568 0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 0.2714 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6073 -0.1429 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9309 0.0841 0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9875 -0.4464 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7686 -1.2242 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8245 -1.7779 -1.6547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -1.4446 -1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 -0.9184 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 -1.0103 -0.7805 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3675 -0.7733 0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2527 -0.4932 -0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 -0.3780 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 0.8132 0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2588 -1.4559 0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -2.2674 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 3.3192 -0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 2.3654 1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8006 1.9956 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 0.2764 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0538 0.7012 1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9994 -0.2547 0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2499 -1.2814 -2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2924 -2.0558 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 -1.6797 1.1166 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 8 3 1 0 21 12 1 0 21 6 1 0 19 13 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 14 31 1 0 15 32 1 0 17 33 1 0 18 34 1 0 21 35 1 0 M END