Mol:LBF20207PG67
Copyright: ARM project http://www.metabolome.jp/
27 27 0 0 0 0 0 0 0 0999 V2000 -0.8354 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -0.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0803 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0803 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 -0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8524 0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 0.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8524 -0.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 -0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 -0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 -0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8145 -0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5267 -0.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 1.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -1.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0905 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 -1.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 6 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 3 1 0 4 8 1 1 8 9 2 0 9 10 1 0 1 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 10 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 7 23 2 0 10 24 1 6 18 25 1 0 18 26 1 0 5 27 1 6
S SKP 6 ID LBF20207PG67 FORMULA C22H36O5 EXACTMASS 380.256274262 AVERAGEMASS 380.51824000000005 SMILES [C@@H]([C@@H]1C=C[C@@H](C(CCCC)(C)C)O)(CC(=O)[C@@H]1CC=CCCCC(O)=O)O AUTODRAW FALSE M END
