HMDB0040823 RDKit 3D (S)-11,12,13-Trinor-7-calamenone 27 28 0 0 0 0 0 0 0 0999 V2000 3.9202 -0.1034 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -0.0006 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 0.7365 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 0.7975 -1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 0.1354 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2516 -0.5964 0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5719 -0.6805 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7546 -1.2983 1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -1.7916 2.4868 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 -1.4464 0.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 -0.3993 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5946 0.2461 -0.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 1.7372 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 0.2189 1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 0.5570 -0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2713 -1.1392 0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 1.2524 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 1.3954 -2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9062 -1.2636 1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -2.4800 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7986 -1.4795 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 0.3605 0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -0.8780 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -0.1250 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 2.0092 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 2.3515 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7888 1.8840 -1.7237 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 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 7 2 1 0 12 5 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 0 7 19 1 0 10 20 1 0 10 21 1 0 11 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 13 26 1 0 13 27 1 0 M END