HMDB0038821 RDKit 3D Calycosin 7-galactoside 54 57 0 0 0 0 0 0 0 0999 V2000 10.1261 -0.1893 -0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8532 -0.0374 -0.5119 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5722 0.0094 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7837 -0.9824 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4233 -0.9242 -0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 0.0736 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3161 0.0899 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 1.2592 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 1.2822 -0.2838 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 0.2238 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8312 0.2871 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6084 -0.8178 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9621 -0.8298 0.3872 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 0.1947 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5855 0.4981 1.3829 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8293 -0.1126 1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4374 0.3233 2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6916 -0.2287 3.0319 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 0.3529 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4786 -0.7587 -0.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9789 0.8950 -0.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7401 0.9737 -1.9286 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8023 -0.0468 -0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0872 0.2152 -2.1011 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 -2.0205 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 -2.1032 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2085 -0.9723 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5862 -1.0498 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 -2.1632 0.2821 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5287 1.0544 0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 1.0179 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 2.0302 0.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8188 0.6432 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5835 -1.0913 -0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3993 -0.3752 -1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 -1.7675 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 -1.7026 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1816 2.1572 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2959 1.2375 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 1.1345 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7791 -1.2167 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7454 0.1890 3.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6038 1.4356 2.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6612 -1.1924 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5007 1.0887 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8866 -0.5912 -0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5636 1.8812 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7607 1.9245 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -1.0969 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 1.1189 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4976 -2.9001 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9909 -3.0312 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0406 1.8464 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1921 2.7641 1.3841 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 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 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 26 27 2 0 27 28 1 0 28 29 2 0 6 30 1 0 30 31 2 0 31 32 1 0 31 3 1 0 28 7 1 0 27 10 1 0 23 14 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 5 37 1 0 8 38 1 0 11 39 1 0 14 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 25 51 1 0 26 52 1 0 30 53 1 0 32 54 1 0 M END