Mol:FL1DHYNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.3304 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3304 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0784 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 -0.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 -0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 0.5176 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 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 0 0 0 0 11 20 1 0 0 0 0 20 21 1 0 0 0 0 9 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 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SBV 1 22 -7.0822 3.2678 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SBV 2 24 -7.0757 3.2640 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SBV 3 26 -6.0987 3.7339 S SKP 8 ID FL1DHYNS0002 KNApSAcK_ID C00007957 NAME Dihydroisomilletenone methyl ether CAS_RN 96400-41-8 FORMULA C19H20O6 EXACTMASS 344.125988372 AVERAGEMASS 344.3585 SMILES c(c32)(OCO3)ccc(c2)C(=O)CC(c(c(OC)1)ccc(OC)c1)OC M END