HMDB0029202 RDKit 3D hesperetin 3'-O-sulfate 40 42 0 0 0 0 0 0 0 0999 V2000 4.6939 -2.9993 0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 -1.6445 0.7834 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 -1.1264 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 -1.9332 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9745 -1.3931 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6922 -0.0490 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6474 0.4065 -0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 1.7848 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 1.9759 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 3.1249 0.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 0.8846 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7882 1.1168 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2086 2.4305 0.1876 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6553 0.0452 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1897 -1.2285 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0353 -2.3282 -0.0569 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8278 -1.4490 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 -0.3983 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 -0.5684 -0.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 0.7061 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 0.2194 0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9374 0.9723 1.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 1.8049 0.3018 S 0 0 0 0 0 6 0 0 0 0 0 0 6.4627 1.2854 0.5078 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 1.6841 -1.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0655 3.4260 0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6459 -3.2407 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 -3.1931 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9089 -3.6810 0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4218 -2.9804 -0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2262 -2.0508 -0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7266 0.3388 -1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7384 2.4864 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 2.1653 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1943 2.6578 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7331 0.2367 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3694 -2.7046 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4061 -2.4426 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4891 1.7495 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7627 3.9091 0.2723 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 6 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 2 0 23 26 1 0 21 3 1 0 19 7 1 0 18 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 13 35 1 0 14 36 1 0 16 37 1 0 17 38 1 0 20 39 1 0 26 40 1 0 M END