HMDB0033581 RDKit 3D Melilotoside 41 42 0 0 0 0 0 0 0 0999 V2000 5.3547 1.4928 3.2811 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 1.1600 2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 0.7715 3.5162 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 1.1945 1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0347 0.8459 0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 0.8442 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 1.2015 -1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 1.1866 -2.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3223 0.8037 -3.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 0.4316 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 0.4496 -1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 0.0967 -0.2737 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 -0.3288 -0.4476 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5088 0.6342 0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 0.2111 0.0634 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8215 1.3117 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0902 0.7384 0.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9918 -0.8800 1.0803 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3072 -1.1925 1.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 -2.0703 0.5444 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1998 -3.1074 1.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -1.6789 0.2036 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2979 -2.6251 -0.6813 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2263 -0.1052 4.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0223 1.5040 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2263 0.5477 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 1.5147 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3314 1.4785 -3.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 0.7767 -4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3478 0.1280 -2.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 -0.3636 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9545 -0.2491 -0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7105 1.9680 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 1.9213 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8065 1.3351 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 -0.5637 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6803 -0.5614 2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7476 -2.4221 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -3.5736 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 -1.7440 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0452 -3.0822 -1.1403 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 6 15 32 1 6 16 33 1 0 16 34 1 0 17 35 1 0 18 36 1 1 19 37 1 0 20 38 1 6 21 39 1 0 22 40 1 1 23 41 1 0 M END