Mol:FL1CQUNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 1.4796 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4796 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0359 -0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5922 -0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5922 0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0359 0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 -0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9027 -0.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -1.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3233 0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3233 -0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3233 -1.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 0.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 -0.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 0.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 1.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 2.1523 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 1 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 1 0 0 0 0 16 10 2 0 0 0 0 16 17 1 0 0 0 0 12 18 2 0 0 0 0 15 19 2 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -1.0471 1.2518 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -1.7672 0.6918 S SKP 8 ID FL1CQUNS0002 KNApSAcK_ID C00007175 NAME Methylpedicinin CAS_RN 77646-06-1 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COc(c(=O)1)c(OC)c(=O)c(C(=O)C=Cc(c2)cccc2)c(O)1 M END