HMDB0039097 RDKit 3D Demethylbatatasin IV 31 32 0 0 0 0 0 0 0 0999 V2000 3.9006 -3.0410 -0.4359 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3824 -1.7590 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1695 -0.7065 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7016 0.5712 0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 1.5827 0.7011 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 0.8043 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -0.2322 -0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1601 0.0568 -0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 -0.1388 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 0.1194 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9616 -0.9445 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 -0.8190 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8225 0.4615 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9573 1.5464 -0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6089 1.3831 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 2.4895 0.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 -1.5105 -0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3155 -3.2594 -1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 -0.9021 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 2.1366 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 1.8194 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 1.0778 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.6584 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2412 0.4722 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -1.1977 0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5836 -1.9831 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -1.6550 -0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8834 0.6362 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3347 2.5671 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 3.4254 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.3423 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 7 17 2 0 17 2 1 0 15 10 1 0 1 18 1 0 3 19 1 0 5 20 1 0 6 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 16 30 1 0 17 31 1 0 M END