Mol:FLIAAENI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.6022 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6022 -0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0459 -0.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 -0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0459 0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1791 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1791 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 -1.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3687 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3687 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -1.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0459 -1.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 0.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0459 1.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6335 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6335 2.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0389 2.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0697 -0.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0697 -1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 -1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 -1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 -2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 -0.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 -1.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1008 -2.4573 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 2 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 15 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 2.6056 -1.6635 S SKP 8 ID FLIAAENI0001 KNApSAcK_ID C00009841 NAME 6,8-Diprenylpratensein;5,7,3'-Trihydroxy-4'-methoxy-6,8-diprenylisoflavone CAS_RN 87530-21-0 FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES c(c3O)(CC=C(C)C)c(c(C(=O)1)c(c3CC=C(C)C)OC=C(c(c2)ccc(c2O)OC)1)O M END