Mol:LBF20406LT01
Copyright: ARM project http://www.metabolome.jp/
23 23 0 0 0 0 0 0 0 0999 V2000 2.8480 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2771 0.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 1.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4189 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8531 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2771 0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2771 -0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 -1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8687 -1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4398 -1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 -0.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 -0.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 0.9105 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 8 23 1 1 7 23 1 1
S SKP 6 ID LBF20406LT01 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(CC=CCC=CC=CC=C[C@@H](O1)[C@@H]1CCCC(O)=O)CCC AUTODRAW FALSE M END
