Mol:FLIF1LNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -2.2225 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6662 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 0.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6662 1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 0.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0027 0.7805 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5536 1.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 -0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 -1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 -0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 -0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1807 0.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7997 1.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4386 1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 1.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7484 -0.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -1.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 -1.7972 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 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 0.7362 -1.3847 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 1.9854 -1.076 S SKP 8 ID FLIF1LNF0003 KNApSAcK_ID C00009569 NAME Elliptone;Derride CAS_RN 478-10-4 FORMULA C20H16O6 EXACTMASS 352.094688244 AVERAGEMASS 352.33744 SMILES c(O1)(c45)c(ccc(occ5)4)C(C(c23)C1COc2cc(OC)c(OC)c3)=O M END