Mol:FL1CA9NF0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -3.5728 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1439 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4294 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4294 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5728 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5728 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -1.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4031 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 12 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 17 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 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 6 27 1 1 0 0 0 5 28 1 1 0 0 0 4 29 1 1 0 0 0 3 32 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 4 33 1 6 0 0 0 S SKP 8 ID FL1CA9NF0005 KNApSAcK_ID C00014449 NAME (-)-Linderol A;Linderol A CAS_RN 166983-85-3 FORMULA C26H30O5 EXACTMASS 422.20932407 AVERAGEMASS 422.5134 SMILES c(c4)c(ccc4)C=CC(=O)c(c12)c(cc(OC)c(C(C3CCC)([H])C(C(CC3)(C)O)([H])O2)1)O M END