Mol:FLIFWYNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.3209 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3209 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0764 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0764 0.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 0.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 -1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 -0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0157 -1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5389 0.9459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7337 0.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8484 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5169 2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 0.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0835 0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -1.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 -2.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 -2.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8131 -2.9035 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 2 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 2 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 11 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 7 19 2 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 21 23 1 1 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 21 26 1 6 0 0 0 14 27 2 0 0 0 0 16 28 1 0 0 0 0 28 29 1 0 0 0 0 17 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 34 M SMT 2 OCH3 M SVB 2 34 2.3522 -2.016 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 1.0252 -1.6437 S SKP 8 ID FLIFWYNF0001 KNApSAcK_ID C00002569 NAME Rotenonone CAS_RN 4436-62-7 FORMULA C23H18O7 EXACTMASS 406.10525293 AVERAGEMASS 406.38482 SMILES [C@]([H])(C5)(Oc(c45)ccc(c43)C(C(=C(O3)1)c(c2)c(cc(c2OC)OC)OC(=O)1)=O)C(C)=C M END