Mol:FLIFWYNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -2.2825 0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 1.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 -1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 0.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1206 0.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 1.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6883 -0.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 -0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 -1.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 -1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6398 1.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1398 2.2887 0.0000 C 0 0 0 0 0 0 0 0 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 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 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 1 2 1 0 0 0 0 3 20 1 0 0 0 0 19 21 2 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 29 M SMT 3 OCH3 M SVB 3 29 -2.6398 1.4227 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 0.6762 -1.3612 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 1.9253 -1.0525 S SKP 8 ID FLIFWYNS0001 KNApSAcK_ID C00009595 NAME Stemonone CAS_RN 41059-87-4 FORMULA C19H14O8 EXACTMASS 370.068867424 AVERAGEMASS 370.30966 SMILES c(c4OC)(OC)cc(c(c4)1)OC(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)1)=O M END