Mol:FLIC1LNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.0732 -3.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -3.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2209 -3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 -2.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2665 -2.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4861 -3.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4141 -2.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -1.6369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4597 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6793 -2.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 -1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3039 -0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1376 0.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8139 0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0488 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 -4.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9347 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5465 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 -1.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 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 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 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 11 2 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 23 2 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 28 M SMT 2 OCH3 M SVB 2 28 -0.3076 -0.4422 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 1.834 -0.7179 S SKP 8 ID FLIC1LNI0003 KNApSAcK_ID C00009734 NAME Unanisoflavan CAS_RN 61186-60-5 FORMULA C22H26O5 EXACTMASS 370.178023942 AVERAGEMASS 370.43884 SMILES COc(c(O)3)c(cc(C(C=C)(C)C)c3OC)C(C1)Cc(c2)c(cc(c2)O)O1 M END