Mol:LBF20406CV01
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 0 0 0 0 0 0999 V2000 -0.1362 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5628 1.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5443 0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 -0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5603 -0.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 -0.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 -0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8323 0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 -0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3763 0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0437 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7888 1.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 1.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 0.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3144 2.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4883 -0.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -1.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 -2.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1081 -1.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 4 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 18 1 1 18 19 1 0 19 20 1 0 20 21 1 0 21 17 1 0 17 1 1 0 19 22 2 0 5 23 2 0 8 24 1 1 24 25 1 0 25 26 1 0 25 27 2 0
S SKP 6 ID LBF20406CV01 FORMULA C22H28O5 EXACTMASS 372.193674006 AVERAGEMASS 372.45472000000007 SMILES CC(=O)O[C@@](CC=CCCCCC)(C=2)C(C(C2)=O)=CC=C[C@H](O1)CCC(=O)1 AUTODRAW FALSE M END
