Mol:FL2FA8NS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -1.6577 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6159 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6159 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4258 0.1001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0950 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -1.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 -0.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0149 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5149 1.5848 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 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 2 18 1 0 0 0 0 17 19 1 0 0 0 0 13 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 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 -2.0149 0.7188 S SKP 8 ID FL2FA8NS0004 KNApSAcK_ID C00008412 NAME Scutamoenin CAS_RN 129138-49-4 FORMULA C16H14O6 EXACTMASS 302.07903818 AVERAGEMASS 302.27876000000003 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)CC1c(c(O)2)c(O)ccc2 M END