HMDB0041000 RDKit 3D Karahana lactone 26 27 0 0 0 0 0 0 0 0999 V2000 2.2884 1.6062 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 0.6407 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 -0.7329 -0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 -1.7605 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 -1.1846 0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0338 -0.7049 1.8839 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 0.6641 1.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 1.4542 2.7937 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0748 1.0476 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9815 0.0662 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2986 0.4115 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1932 -0.0337 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 1.3329 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1134 2.6384 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7017 -0.9826 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7127 -0.8423 -1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2584 -2.4117 0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 -2.4667 -0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 -1.9282 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 2.0906 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 0.8190 1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -0.5735 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 1.0476 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3691 0.2954 -2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 0.5932 -1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5191 -1.0862 -1.7243 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 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 9 2 1 0 10 5 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 9 20 1 0 11 21 1 0 11 22 1 0 11 23 1 0 12 24 1 0 12 25 1 0 12 26 1 0 M END