Mol:FL5FA9NS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.0689 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0689 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8463 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8463 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5126 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5783 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5628 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2772 1.3299 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 1.5628 1.7424 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 1.9105 -0.022 S SKP 8 ID FL5FA9NS0008 KNApSAcK_ID C00004656 NAME Morelosin CAS_RN 62008-19-9 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c3)cc(cc(OC)3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1 M END