Mol:LBF20503HO03
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000 2.0698 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 -0.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 1.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3253 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 0.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6377 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1216 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8677 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0427 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9257 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 -1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 1 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 11 23 1 6
S SKP 6 ID LBF20503HO03 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(CC=CCC=CCC(C=CC=CCCCC(O)=O)O)=CCC AUTODRAW FALSE M END
