HMDB0039458 RDKit 3D Di-2-propenyl heptasulfide 23 22 0 0 0 0 0 0 0 0999 V2000 5.9448 0.9229 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1147 0.0545 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 -0.8509 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 -0.5908 0.5413 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9198 1.3439 -0.1283 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 1.1450 -2.1628 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 0.7150 -2.3528 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -1.4012 -2.3394 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 -1.9200 -0.2978 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -1.7715 0.1628 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8815 -0.1216 0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3374 -0.1316 1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1745 0.6755 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5616 1.5935 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 0.9719 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -0.0068 2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5002 -0.6327 -0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5545 -1.8957 0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 0.6738 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3316 0.0327 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7215 -0.8155 1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2248 0.6307 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8141 1.3790 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 11 19 1 0 11 20 1 0 12 21 1 0 13 22 1 0 13 23 1 0 M END