Mol:LBF20210PG01
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000 -0.8211 0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 -0.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5814 0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4757 -0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0468 -0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7236 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 0.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1525 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 0.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 1.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6677 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3822 -0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 -0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3497 1.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0468 -1.5967 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 2 0 6 7 1 0 7 3 1 0 4 8 1 1 8 9 1 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 2 0
S SKP 6 ID LBF20210PG01 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(CCC(=O)CC[C@H]([C@H]1CC=CCCCC(O)=O)C=CC(=O)1)CC AUTODRAW FALSE M END
