Mol:LBF20207PG02
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000 2.0612 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 1.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3466 0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0823 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4903 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -0.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 -0.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3441 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 -0.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 -1.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2604 1.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 1 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 10 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 17 23 1 6 11 24 2 0
S SKP 6 ID LBF20207PG02 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC[C@@H](O)C=CC(=C1CCCCCCC(O)=O)CCC(=O)1)CC AUTODRAW FALSE M END
