Mol:LBF20406CV10
Copyright: ARM project http://www.metabolome.jp/
36 36 0 0 0 0 0 0 0 0999 V2000 -1.2079 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9224 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3465 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 -0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3465 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9174 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0924 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3366 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7606 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3861 1.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -0.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 -1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1902 -2.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1798 -1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4934 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4934 0.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 0.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 0.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1871 0.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9015 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9015 -1.1787 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 5 17 2 0 8 18 1 1 18 19 1 0 19 20 1 0 19 21 2 0 1 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 23 30 1 0 30 31 1 0 30 32 2 0 16 33 1 0 33 34 1 0 34 35 1 0 34 36 2 0
S SKP 6 ID LBF20406CV10 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
