HMDB0032590 RDKit 3D Zingerone 28 28 0 0 0 0 0 0 0 0999 V2000 -3.8200 -1.8782 1.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2392 -1.0132 0.6126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -0.2065 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 -0.1858 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 0.6442 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3709 0.6295 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -0.3089 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 -0.3130 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 0.9171 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1638 -1.2149 0.8382 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 1.5116 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6394 1.5210 -1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5916 0.6700 -0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 0.6727 -1.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3715 -2.7008 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5955 -1.4453 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 -2.4598 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -0.8826 1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4104 0.2373 1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7892 1.6523 0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -0.0539 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -1.3492 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 1.4437 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5095 1.5389 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5204 0.5880 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 2.1478 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8899 2.2060 -2.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1185 1.3132 -2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 5 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 14 28 1 0 M END