HMDB0035643 RDKit 3D beta-Sinensal 38 37 0 0 0 0 0 0 0 0999 V2000 -4.2670 -2.4810 2.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 -1.5133 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2122 -0.3518 1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8786 0.6153 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7496 -0.2807 1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1709 0.9969 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6945 0.9356 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 0.9676 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 1.0688 -1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 0.9056 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 -0.2862 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7434 -0.2681 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -0.1989 -1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1442 -0.1418 -2.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0760 -0.1813 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4165 -0.2333 0.3868 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 -2.4278 2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 -3.3425 2.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0111 -1.5868 1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9512 0.5552 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3387 1.4819 0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3189 -1.1746 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -0.3634 2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3782 1.0145 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 1.8882 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 0.8626 1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 2.0216 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 0.1778 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 0.9899 -2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.8076 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 0.8570 1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0836 -0.3935 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -1.2000 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 -0.3129 0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0307 0.1156 -3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7619 -1.0886 -2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 0.6909 -2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 -0.1262 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 3 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 1 17 1 0 1 18 1 0 2 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 M END