HMDB0240482 RDKit 3D Bergaptol sulfate 25 27 0 0 0 0 0 0 0 0999 V2000 4.1824 -2.2287 1.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0967 -1.7634 0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -2.5995 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 -2.0031 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7863 -0.6351 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3491 0.0034 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -0.7413 -1.1233 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6665 -1.3548 -0.1878 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.9754 -0.7178 -0.5697 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7863 -2.8302 -0.4422 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 -1.1254 1.4627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4827 1.3833 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4528 2.2964 -0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 3.5597 -0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 3.4053 -0.0969 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5465 2.1447 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 1.4905 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 0.1219 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9297 -0.4658 0.8127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 -3.6666 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 -2.6062 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -0.2946 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 2.0594 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 4.4602 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4733 2.1077 0.8124 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 1 0 8 9 2 0 8 10 2 0 8 11 1 0 6 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 2 1 0 18 5 1 0 16 12 2 0 3 20 1 0 4 21 1 0 11 22 1 0 13 23 1 0 14 24 1 0 17 25 1 0 M END