KEGG:C11418 (3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone ISISHOST03240423282D 1 1.00000 0.00000 11678 12 12 0 1 0 999 V2000 2.0725 -4.2571 0.0000 C 0 0 2 0 0 0 0 0 0 2.8978 -4.2490 0.0000 C 0 0 0 0 0 0 0 0 0 3.4261 -4.8886 0.0000 O 0 0 0 0 0 0 0 0 0 1.5650 -4.9099 0.0000 C 0 0 0 0 0 0 0 0 0 3.2565 -5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 1.7596 -5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 2.5137 -6.0677 0.0000 C 0 0 2 0 0 0 0 0 0 1.7063 -3.5137 0.0000 C 0 0 0 0 0 0 0 0 0 3.2513 -3.4974 0.0000 O 0 0 0 0 0 0 0 0 0 2.5244 -6.8968 0.0000 C 0 0 0 0 0 0 0 0 0 1.8111 -7.3185 0.0000 C 0 0 0 0 0 0 0 0 0 3.2436 -7.3010 0.0000 C 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 1 4 1 0 0 0 1 8 1 6 0 0 2 9 2 0 0 0 3 5 1 0 0 0 2 3 1 0 0 0 4 6 1 0 0 0 7 10 1 1 0 0 1 2 1 0 0 0 10 11 1 0 0 0 5 7 1 0 0 0 10 12 2 0 0 0 M END