Mol:LBF20406CV09
Copyright: ARM project http://www.metabolome.jp/
36 36 0 0 0 0 0 0 0 0999 V2000 -1.9301 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6421 0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1674 -0.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6523 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1674 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1051 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3835 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 1.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5962 -1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -1.7282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 -2.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0383 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 0.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 1.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0383 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3238 2.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 -0.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 -0.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6523 -0.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -2.0237 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 23 29 1 0 29 30 1 0 29 31 2 0 16 32 1 0 26 33 2 0 32 34 1 0 34 35 1 0 34 36 2 0
S SKP 6 ID LBF20406CV09 FORMULA C27H36O9 EXACTMASS 504.23593274999996 AVERAGEMASS 504.56934 SMILES C(C[C@](OC(C)=O)(C=1)C(=CC=C[C@@H](CCC(=O)OC)OC(C)=O)C(=O)C1)=CCCCCCOC(C)=O AUTODRAW FALSE M END
