Mol:FLNF19NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 6 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 16 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 13 27 1 1 0 0 0 12 28 1 6 0 0 0 10 29 1 0 0 0 0 14 30 2 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 S SKP 8 ID FLNF19NP0002 KNApSAcK_ID C00010270 NAME Chapelieric acid methyl ester CAS_RN 34336-12-4 FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES C(C(C)4)(C)Oc(c2C(=O)4)c(c(O3)c(C=CC(C)(C)3)c2O)C(c(c1)cccc1)CC(OC)=O M END