HMDB0060077 RDKit 3D cis-Melilotoside 41 42 0 0 0 0 0 0 0 0999 V2000 5.3135 -0.2438 0.8842 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1082 0.6908 0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1855 1.6223 0.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9933 0.9719 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9026 0.3065 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 -0.9583 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -1.9265 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 -3.0783 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 -3.2831 1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 -2.2772 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2374 -1.1430 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 -0.1679 -0.1492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9981 -0.0438 0.1539 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8236 0.0292 -0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1539 0.0687 -0.5595 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0233 -0.1272 -1.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7687 -1.3473 -2.4008 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5075 1.4012 0.0643 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1311 1.2735 1.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2118 2.1545 0.2818 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7561 2.6771 -0.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 1.2270 0.9531 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7856 0.8386 2.1789 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 2.5622 0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 1.9495 -1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1629 0.7621 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 -1.9094 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -3.8472 0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 -4.1713 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -2.4591 1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3378 -0.9423 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3772 -0.7162 0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1091 -0.0720 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8721 0.6875 -2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4552 -1.9708 -1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1291 2.0239 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 0.3538 1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3974 2.9969 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 2.7584 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 1.7740 1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 1.5549 2.8756 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 2 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 15 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 11 6 1 0 22 13 1 0 3 24 1 0 4 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 13 31 1 1 15 32 1 1 16 33 1 0 16 34 1 0 17 35 1 0 18 36 1 6 19 37 1 0 20 38 1 1 21 39 1 0 22 40 1 1 23 41 1 0 M END