HMDB0041006 RDKit 3D 1'-Acetoxychavicol 31 31 0 0 0 0 0 0 0 0999 V2000 -2.9849 -2.8687 -0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9713 -2.0182 -0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8424 -0.9381 0.1015 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6828 0.1664 -0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6273 0.6523 0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4264 1.8323 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7827 0.0900 1.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 -0.4227 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -0.8104 1.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7106 -0.3399 1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 0.5814 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4215 1.0793 0.4658 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4913 0.4993 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8814 1.0442 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3328 -0.5421 -0.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 1.0097 -0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 0.5112 -0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -2.7668 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 -3.6628 -1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -2.1401 -1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1227 -1.3091 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 2.4288 1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7773 2.4808 -0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3631 1.5427 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 -1.5366 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 -0.6735 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3715 0.8856 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8371 2.1410 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 0.4985 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 1.7374 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6295 0.8483 -1.4991 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 5 6 1 0 5 7 2 0 3 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 13 15 2 0 11 16 1 0 16 17 2 0 17 8 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 1 6 22 1 0 6 23 1 0 6 24 1 0 9 25 1 0 10 26 1 0 14 27 1 0 14 28 1 0 14 29 1 0 16 30 1 0 17 31 1 0 M END