Mol:FLII1LNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.5527 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2286 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2286 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 -1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 -0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 -0.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3821 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9585 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 1.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 0.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 -1.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1142 -2.0200 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 2 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 1 11 1 0 0 0 0 9 12 2 0 0 0 0 12 10 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 2 0 0 0 0 16 9 1 0 0 0 0 3 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 1.6012 -1.2264 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 1.0936 0.5577 S SKP 8 ID FLII1LNI0002 KNApSAcK_ID C00010077 NAME Gancaonin I CAS_RN 126716-36-7 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c(CC=C(C)C)3)cc(o1)c(c3OC)cc(c(c2)c(O)cc(O)c2)1 M END