HMDB0033088 RDKit 3D (±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde 29 31 0 0 0 0 0 0 0 0999 V2000 4.9605 2.3966 0.4797 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 1.5684 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 0.6341 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6223 -0.2925 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5637 -1.1709 -1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6046 -1.1060 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6997 -0.1909 0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7707 0.6674 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.3723 1.3274 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1992 -1.4232 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5074 -0.7916 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -1.0532 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3623 -0.4481 -1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9719 0.4164 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1788 0.9958 -0.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 0.6646 1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9196 1.5497 1.9328 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 0.0772 1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4568 -1.8779 -0.3643 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6085 1.5363 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 -0.3321 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 -1.8862 -2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8755 1.3914 1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3194 -2.2423 1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6552 -1.7360 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8339 -0.6818 -1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6029 1.6373 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4806 1.7642 2.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6249 0.3054 2.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 10 19 1 0 8 3 1 0 18 11 1 0 19 6 1 0 2 20 1 0 4 21 1 0 5 22 1 0 8 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 15 27 1 0 17 28 1 0 18 29 1 0 M END