HMDB0240558 RDKit 3D Sulforaphane-cysteine 35 34 0 0 0 0 0 0 0 0999 V2000 6.4764 -1.0688 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6724 0.4394 -0.9877 S 0 0 0 0 0 4 0 0 0 0 0 0 5.3472 0.3215 -2.4694 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1552 0.6682 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2749 -0.5144 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 -0.3754 0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2682 0.8492 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 0.9152 0.8786 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 0.5855 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 0.0674 -1.4056 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 0.6309 1.1776 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9033 0.1004 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2152 0.1457 0.7964 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0932 -0.7551 1.9181 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2876 -0.2631 -0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9931 -1.2843 0.0725 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5377 0.4964 -1.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 -1.1973 -0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8383 -1.9572 -0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6652 -0.9105 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 1.5845 -0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4268 0.7889 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -1.4808 -0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0133 -0.5266 -1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3827 -1.2915 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 -0.3124 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 0.8335 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 1.7885 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 1.2011 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9181 0.7778 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7084 -0.9578 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3489 1.1982 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6787 -0.4754 2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1076 -0.8187 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2587 1.1982 -1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 3 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 13 32 1 1 14 33 1 0 14 34 1 0 17 35 1 0 M END