Mol:FL1CG9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 25 0 0 0 0 0 0 0 0999 V2000 -2.8395 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2191 -0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 -0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 0.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0058 0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4769 1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 1.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3553 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8973 3.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0649 3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6907 4.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 3.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9811 2.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 0.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 -0.7550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -0.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6039 -1.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 -0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4873 0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2433 1.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8103 1.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 2.7056 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 2 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 3 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -0.2038 0.6768 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -1.0381 1.2499 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -2.5869 -0.1952 S SKP 8 ID FL1CG9NS0002 KNApSAcK_ID C00006983 NAME Isodidymocarpin CAS_RN 71326-08-4 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES C(c(c2O)c(c(c(c2OC)O)OC)OC)(=O)C=Cc(c1)cccc1 M END
