Mol:FL64A9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.5867 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5867 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0862 -1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5858 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5858 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0862 0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 -1.1485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4151 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 -0.2817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0853 0.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9152 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 -0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9152 0.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 0.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -1.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0862 0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8329 0.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8162 1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 0.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 -1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 -1.7054 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 1 0 0 0 7 18 1 1 0 0 0 7 19 1 6 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 3 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 -1.5507 -1.2929 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -1.9439 0.3371 S SKP 8 ID FL64A9NI0001 KNApSAcK_ID C00001009 NAME Tephrowatsin A CAS_RN 97640-79-4 FORMULA C22H26O4 EXACTMASS 354.18310931999997 AVERAGEMASS 354.43944 SMILES C(C)(C)=CCc(c12)c(OC)cc(OC)c([C@](C[C@@]([H])(c(c3)cccc3)O2)([H])O)1 M END