HMDB0041005 RDKit 3D 1'-Acetoxychavicol acetate 31 31 0 0 0 0 0 0 0 0999 V2000 1.4465 -2.7195 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3656 -1.7826 0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 -0.3688 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 0.4344 -0.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 1.2516 0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7356 2.1011 -0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9344 1.2664 1.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5974 -0.0997 0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2699 0.0361 1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 0.2920 1.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1263 0.4180 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4778 0.6741 -0.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4254 -0.3100 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8497 0.1191 -0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 -1.5031 -0.3569 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 0.2778 -1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 0.0214 -0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4137 -2.5123 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7212 -3.7455 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3807 -2.0303 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3004 -0.1815 1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 2.1802 -1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8729 3.1090 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7395 1.6488 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 -0.0609 2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3012 0.3995 2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4567 -0.7470 -0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8551 0.9232 -1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1973 0.6112 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6509 0.3790 -2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7739 -0.0817 -1.7337 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 0 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