HMDB0035915 RDKit 3D Sulcatone 23 22 0 0 0 0 0 0 0 0999 V2000 3.7656 -0.4153 0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 -0.7652 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 -1.8196 -0.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4135 0.2158 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.2635 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 0.7558 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0216 0.3834 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -0.9921 0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1214 1.3739 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 -0.8469 1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 -0.8736 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8961 0.6706 0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 1.1659 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0804 0.2872 1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 -1.2575 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5498 -0.2945 -1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 1.7689 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -1.2834 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -1.7276 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2398 -1.0998 0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 1.8385 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9469 2.2392 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1001 0.9396 -0.3721 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 2 3 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 4 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 8 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 M END