HMDB0035869 RDKit 3D alpha-Rotunol 39 40 0 0 0 0 0 0 0 0999 V2000 3.7301 -0.6617 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 0.1831 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 1.5582 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -0.2266 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 -1.6206 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0863 -2.0665 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1605 -1.0701 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 -1.3464 -1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 -1.3248 1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3661 -0.1491 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7785 -0.2246 3.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5289 1.1049 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7447 1.3266 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 2.6345 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 0.3543 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5862 0.5146 -1.7199 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 0.6878 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4434 -1.6857 0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -0.3905 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 2.2462 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 1.7767 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 1.7033 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 -0.1257 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4194 -1.7200 1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -2.3088 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 -2.4033 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2944 -3.0052 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -2.1384 -0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 -0.4312 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 -1.6089 -2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5261 -2.1367 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 -1.7122 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 1.8440 1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7432 2.4555 -1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 2.9300 -1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 3.4252 0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 1.3073 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 1.7217 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 0.5834 1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 4 1 0 15 7 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 M END