Mol:FLIC1LNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.9243 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9928 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9928 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 1.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 -0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3361 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3361 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3371 1.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 -1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3361 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 -1.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8019 -0.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 -1.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3371 -0.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 0.0562 0.0000 H 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 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 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 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 12 1 0 0 0 0 17 1 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 15 1 0 0 0 0 21 23 1 1 0 0 0 21 24 1 6 0 0 0 8 25 1 6 0 0 0 S SKP 8 ID FLIC1LNP0003 KNApSAcK_ID C00002560 NAME (-)-Phaseollinisoflavan CAS_RN 40323-57-7 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES C(C1)(c(c4O)ccc(c34)OC(C=C3)(C)C)([H])Cc(c2)c(cc(O)c2)O1 M END