Mol:FL1AUNNF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -0.7204 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7588 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7588 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 -0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1502 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1502 0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2043 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8647 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6428 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8647 1.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6053 0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8647 -0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 0.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2043 1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7305 1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 -1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8089 -1.2122 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 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 8 10 1 0 0 0 0 3 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 4 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 10 20 2 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 7 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SBV 1 28 -4.8804 4.1219 S SKP 8 ID FL1AUNNF0002 KNApSAcK_ID C00008040 NAME Derriobtusone B CAS_RN 61755-73-5 FORMULA C19H12O6 EXACTMASS 336.063388116 AVERAGEMASS 336.29498 SMILES c(c51)(OCO5)ccc(C(c(o4)c(c(c43)ccc(c32)occ2)OC)=O)c1 M END