HMDB0029412 RDKit 3D Betonicine 24 24 0 0 0 0 0 0 0 0999 V2000 -1.1294 -0.2728 1.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 -0.3278 0.3630 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.2538 -1.0557 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 -1.0135 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 -0.4809 -0.6089 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9532 -0.2368 -0.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0104 0.7982 -1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0915 0.9763 -0.0391 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1400 1.8032 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2689 1.4045 -1.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 3.1589 -0.7981 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.2843 -1.3215 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4499 0.2420 2.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 0.2309 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 -1.1242 -0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 -0.6156 -1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8878 -2.1208 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2442 -0.7239 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6939 -2.1005 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7289 -1.1670 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9226 0.0804 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 1.6519 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 0.7120 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 1.5028 0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 8 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 6 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 1 M CHG 2 2 1 11 -1 M END