Mol:LBF20406CV05
Copyright: ARM project http://www.metabolome.jp/
32 32 0 0 0 0 0 0 0 0999 V2000 -1.1948 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9068 0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 -0.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 -0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2548 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 1.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 -1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 -1.7282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4911 -2.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3447 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3447 1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 -0.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 1.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0591 2.7386 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 7 17 2 0 4 18 1 1 18 19 1 0 19 20 2 0 19 21 1 0 9 22 1 0 22 23 1 6 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 2 0 23 30 1 0 30 31 1 0 30 32 2 0
S SKP 6 ID LBF20406CV05 FORMULA C25H34O7 EXACTMASS 446.230453442 AVERAGEMASS 446.53326000000004 SMILES O(C(C)=O)[C@@](C1=CC=C[C@@H](CCC(OC)=O)OC(C)=O)(CC=CCCCCC)C=CC1=O AUTODRAW FALSE M END
