Mol:FL1DG9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 0 0 0 0 0 0999 V2000 -1.6200 -1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8388 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6612 -1.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 -2.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 -1.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 -2.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5673 -1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9669 -2.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7543 -3.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -3.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7424 -2.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7278 -0.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -0.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0727 -1.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3067 -2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 -2.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -3.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -0.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 -0.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -2.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9467 -3.4280 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 3 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 25 M SMT 4 OCH3 M SVB 4 25 -0.1773 0.6731 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 23 M SMT 3 OCH3 M SVB 3 23 -2.5535 -0.1935 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 21 M SMT 2 OCH3 M SVB 2 21 -1.0081 1.2456 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 19 M SMT 1 OCH3 M SVB 1 19 -2.1962 0.9721 S SKP 8 ID FL1DG9NS0002 KNApSAcK_ID C00007946 NAME Dihydrokanakugiol CAS_RN 117842-21-4 FORMULA C19H22O6 EXACTMASS 346.141638436 AVERAGEMASS 346.37438 SMILES C(c(c2O)c(c(c(c2OC)OC)OC)OC)(=O)CCc(c1)cccc1 M END
