Mol:FLIB1LNF0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.7464 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6297 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6297 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4407 -0.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7349 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4555 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7349 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 2 0 0 0 0 12 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 2 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 14 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 29 M SMT 1 OCH3 M SBV 1 29 -5.1783 5.2570 S SKP 8 ID FLIB1LNF0005 KNApSAcK_ID C00009551 NAME Erosenone CAS_RN 66280-22-6 FORMULA C19H14O7 EXACTMASS 354.073952802 AVERAGEMASS 354.31026 SMILES c(c54)(occ5)cc(c3c4)OCC(C3=O)c(c(OC)2)c(c(c1c2)OCO1)O M END