Mol:LBF20406CV18
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 0 0 0 0 0 0999 V2000 -0.8637 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 0.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5859 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8015 -0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0235 -0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8739 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 -0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7038 1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3559 1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5298 -0.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9465 -1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -2.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 -1.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 3 1 0 4 8 1 0 1 9 2 0 8 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 0 18 19 1 0 19 20 1 1 20 21 1 0 21 17 1 0 19 9 1 0 21 22 2 0 7 23 2 0 4 24 1 1 24 25 1 0 25 26 1 0 25 27 2 0
S SKP 6 ID LBF20406CV18 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
