Mol:FL64A9NF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.3687 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3687 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 -1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 -1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8565 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8565 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 0.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 0.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5855 1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2488 -1.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -1.7976 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 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 7 17 1 1 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 1 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 3 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 SBV 1 27 -8.5660 3.8066 S SKP 8 ID FL64A9NF0001 KNApSAcK_ID C00008984 NAME Hildgardtol A CAS_RN 104799-50-0 FORMULA C21H22O4 EXACTMASS 338.151809192 AVERAGEMASS 338.39698 SMILES O(C3c(c4)cccc4)c(c12)c(C(O)C3)c(cc1OC(C2)C(C)=C)OC M END