HMDB0034732 RDKit 3D Thymoquinone 24 24 0 0 0 0 0 0 0 0999 V2000 3.8853 -0.3536 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4119 -0.1261 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 0.6704 0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3848 0.8858 0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1644 1.6574 1.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 0.2360 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9585 0.4674 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6703 -0.1479 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 0.0491 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0946 -0.5592 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 -0.7755 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -1.5470 -1.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4317 0.5031 0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1728 -1.2952 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2686 -0.4179 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4689 1.1631 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1255 1.5770 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 0.1493 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 -1.2519 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 0.2547 -2.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3705 0.7854 1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 0.0450 2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1207 -0.9219 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 -1.0477 -1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 6 10 2 0 10 11 1 0 11 12 2 0 11 2 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 7 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 10 24 1 0 M END