KEGG:C02498 2-Ethylhexan-1-ol ISISHOST03240423062D 1 1.00000 0.00000 2236 9 8 0 0 0 999 V2000 0.5034 -0.0414 0.0000 C 0 0 3 0 0 0 0 0 0 -0.1448 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0.5034 -0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 1.1552 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7931 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 1.1552 -1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 1.1552 1.0828 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4448 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0931 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 M END