Mol:LBF20207PG22
Copyright: ARM project http://www.metabolome.jp/
25 25 0 0 0 0 0 0 0 0999 V2000 -0.8355 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 0.9786 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 -3.0804 -0.5176 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 -3.0804 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 -0.7816 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 -0.7816 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 0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 0.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -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 1.3884 -0.7816 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 2.8146 -0.7801 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 -0.0405 -1.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 -1.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 1.6066 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 10 23 1 6 5 24 2 0 7 25 1 6
S SKP 6 ID LBF20207PG22 FORMULA C20H32O5 EXACTMASS 352.224974134 AVERAGEMASS 352.46508 SMILES C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C(C[C@@H]1O)=O)CC AUTODRAW FALSE M END
