Mol:LBF20307HP01
Copyright: ARM project http://www.metabolome.jp/
29 29 0 0 0 0 0 0 0 0999 V2000 0.2549 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5089 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0483 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4773 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9062 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6207 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3339 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0483 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0483 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3339 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7628 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4773 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1917 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9062 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6207 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 1 1 0 3 6 1 0 1 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 7 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 2 0 8 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0
S SKP 6 ID LBF20307HP01 FORMULA C21H34O8 EXACTMASS 414.225368064 AVERAGEMASS 414.48986 SMILES C(CCC(OO)C=CC(OO)C(O1)CC(C=CC=CCCCC(OC)=O)O1)CC AUTODRAW FALSE M END
