Mol:LBF20406CV08
Copyright: ARM project http://www.metabolome.jp/
32 32 0 0 0 0 0 0 0 0999 V2000 -1.5678 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -0.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5678 1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 1.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8095 -0.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0155 -0.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 -1.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 -1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1521 -2.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -1.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 1.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5731 1.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0021 1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 1.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0021 2.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1207 0.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5938 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5938 -0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 2 1 0 1 7 1 0 7 8 2 0 9 10 1 0 10 11 2 0 11 12 1 0 3 9 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 3 17 1 1 17 18 1 0 18 19 1 0 18 20 2 0 6 21 2 0 8 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 2 0 22 29 1 1 29 30 1 0 30 31 2 0 30 32 1 0
S SKP 6 ID LBF20406CV08 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
