HMDB0031554 RDKit 3D Sucralose 42 43 0 0 0 0 0 0 0 0999 V2000 3.5302 2.8237 0.6452 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 2.3541 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 0.9757 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 0.9298 0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 -0.3450 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3226 -0.2361 0.9565 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.5483 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4845 -2.0146 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4144 -2.9239 1.4382 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 -0.3684 1.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 -0.2834 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7086 0.6635 1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1637 0.7506 0.0206 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3156 0.2434 -0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8727 1.4870 -1.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7886 0.3139 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4101 1.6244 -0.7606 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8589 -1.2844 0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3766 -0.7730 2.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 -1.3759 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 -2.3739 0.1888 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 -0.0016 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4001 0.4010 1.3764 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5113 2.9451 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0189 2.3452 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4089 3.0910 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 0.7085 -1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -0.6836 -0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -2.2965 -0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4395 -2.3032 -0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 -1.2633 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9794 0.3367 2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2773 1.6936 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -0.4361 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2442 2.1932 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 -0.1724 -1.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 1.9982 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -2.2898 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9054 -1.2123 2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -1.5226 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4605 -3.1538 0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 -0.0166 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 5 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 3 1 0 16 7 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 5 28 1 0 8 29 1 0 8 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 M END