HMDB0303669 RDKit 3D Gluconapoleiferin 46 46 0 0 0 0 0 0 0 0999 V2000 4.5719 -3.2019 -1.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 -2.3983 -0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5068 -0.9656 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -0.0921 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5883 1.2281 -0.4309 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7891 -0.3896 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3657 -0.2449 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6885 0.6145 1.5987 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 1.3698 2.5597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3009 3.0658 2.3096 S 0 0 0 0 0 6 0 0 0 0 0 0 1.5296 3.3244 0.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3832 3.7578 3.0439 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 3.6835 2.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 -1.1853 -0.3140 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 -0.8046 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5123 0.4770 -0.8461 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8371 0.7986 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3214 1.7410 -1.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6164 2.9394 -1.8085 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -0.3795 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0771 0.1419 -0.6538 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 -1.2671 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7011 -2.5904 0.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 -1.1093 0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 -0.0742 1.7878 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 -4.2224 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2176 -2.7496 -2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 -2.8034 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.7697 -1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3701 -0.7612 -1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7453 -0.2519 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3733 1.5367 -0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0268 -1.4458 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 0.2215 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3266 4.5135 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 -1.4923 -1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 1.3200 0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3852 1.9511 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 1.2066 -2.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0547 3.0529 -1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 -0.9324 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5382 -0.2094 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1373 -1.1082 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8129 -2.9767 -0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 -2.0839 1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -0.4343 2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 7 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 15 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 13 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 M END