Mol:FL2F1CNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.8057 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7639 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7639 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 -0.3386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2430 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3255 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3255 0.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4609 1.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1629 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6629 1.1461 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 5 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 15 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 16 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 -2.1629 0.2801 S SKP 8 ID FL2F1CNI0003 KNApSAcK_ID C00008394 NAME O-Methylovaliflavanone C CAS_RN 115219-94-8 FORMULA C22H22O5 EXACTMASS 366.146723814 AVERAGEMASS 366.40708000000006 SMILES c(c1)c(c(c(O2)c(C(=O)CC(c(c4)cc(O3)c(c4)OC3)2)1)CC=C(C)C)OC M END