Mol:FLIFHXNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.0045 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2207 0.6874 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3356 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 -0.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 0.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8616 2.1723 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 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 9 17 1 0 0 0 0 7 18 2 0 0 0 0 16 19 1 0 0 0 0 19 17 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 3 22 1 0 0 0 0 2 23 1 0 0 0 0 1 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 27 M SMT 1 OCH3 M SVB 1 27 -2.3617 1.3062 S SKP 8 ID FLIFHXNM0001 KNApSAcK_ID C00009984 NAME Boeravinone C;4,11,12a-Trihydroxy-9-methoxy-10-methylrotenone CAS_RN 117176-19-9 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(c4C)(OC)cc(O3)c(c4O)C(C(C32)(c(c(OC2)1)cccc1O)O)=O M END