Mol:LBF20306PG01
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000 -0.8643 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5787 0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2644 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2644 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0517 -0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5384 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0517 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 -0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8043 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 -0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0364 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 0.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1095 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 0.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5384 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8239 -0.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 -0.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3067 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3067 -1.4543 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 2 0 8 9 1 0 9 10 2 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 1 6 5 24 2 0
S SKP 6 ID LBF20306PG01 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C([C@H]1CC=CCCCC(O)=O)(C(C[C@@H]1O)=O)=CC=CCCCCC AUTODRAW FALSE M END
