HMDB0041525 RDKit 3D Coriandrone C 28 30 0 0 0 0 0 0 0 0999 V2000 -2.2558 2.6090 -0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8439 1.8534 0.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 0.5829 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0764 -0.5600 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4289 -0.7807 0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -2.1453 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4127 -2.7441 0.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5114 -1.8043 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1391 -1.9233 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 -0.7935 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 -0.8767 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8023 0.2745 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 0.0627 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5077 0.0256 -1.5105 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 1.4144 0.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 1.5763 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 2.7031 0.3757 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 0.4592 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 2.2552 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0629 3.6774 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 2.4978 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 0.0075 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5355 -2.6829 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3494 -2.8937 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4414 -1.8484 -0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5183 -0.9134 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 0.8789 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 -0.9115 -1.8352 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 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 3 1 0 8 4 1 0 18 10 2 0 1 19 1 0 1 20 1 0 1 21 1 0 5 22 1 0 6 23 1 0 9 24 1 0 11 25 1 0 13 26 1 0 13 27 1 0 14 28 1 0 M END