HMDB0032723 RDKit 3D Menadiol disulfate 31 32 0 0 0 0 0 0 0 0999 V2000 -1.2880 2.9805 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5584 1.6935 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 1.5123 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 0.3218 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 0.1875 1.6138 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0162 0.4358 0.9653 S 0 0 0 0 0 6 0 0 0 0 0 0 4.8020 -0.8389 0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7567 1.3871 1.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 1.0651 -0.5846 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -0.7587 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -1.9724 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8964 -3.0873 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2928 -2.9772 -1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9404 -1.7588 -1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4555 -0.6370 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 0.5949 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 0.6954 -1.1315 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7777 0.4012 -0.3995 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.8551 0.5071 -1.4354 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 1.4006 0.7083 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8643 -1.1332 0.2717 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9354 3.1453 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 3.7827 0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8214 3.1238 -0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 2.3674 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7723 0.9421 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.0375 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4163 -4.0550 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -3.8388 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -1.6569 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -1.7923 -0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 4 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 2 0 18 21 1 0 16 2 1 0 15 10 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 21 31 1 0 M END