HMDB0005785 RDKit 3D Indole-3-carbinol 20 21 0 0 0 0 0 0 0 0999 V2000 3.4899 0.0235 0.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 -0.6788 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1776 0.1991 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1712 1.5017 0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 1.8969 0.6084 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8991 0.9049 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 0.7817 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8351 -0.3809 -0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0317 -1.4733 -0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6724 -1.3703 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1258 -0.1997 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7666 -0.3401 1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 -1.6294 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4785 -0.8513 -1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 2.1015 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 2.8488 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 1.6593 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9056 -0.4144 -0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 -2.3682 -1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 -2.2110 -0.8150 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 3 1 0 11 6 1 0 1 12 1 0 2 13 1 0 2 14 1 0 4 15 1 0 5 16 1 0 7 17 1 0 8 18 1 0 9 19 1 0 10 20 1 0 M END