Mol:LBF20502SC01
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000 0.0025 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2515 0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6779 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3899 0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6779 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9659 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6779 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3899 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3899 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -0.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 -1.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -1.2375 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 2 0 1 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 4 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0
S SKP 6 ID LBF20502SC01 FORMULA C20H30O2 EXACTMASS 302.224580204 AVERAGEMASS 302.451 SMILES C(C=CCC=CCCC=CCCC=CCCC(O)=O)C=CC AUTODRAW FALSE M END
