Mol:FL2FABNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.1998 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1581 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1581 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1998 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 -1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1163 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1163 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 -0.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 -1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7207 -0.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6603 0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1787 0.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1787 1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 0.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7207 0.4438 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 6 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 19 5 1 0 0 0 0 2 24 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SBV 1 27 -4.8649 4.3088 S SKP 8 ID FL2FABNI0002 KNApSAcK_ID C00008453 NAME 5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone CAS_RN 120727-36-8 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES C(=O)(C2)c(c1OC2c(c3)ccc(OC)c3)c(cc(O)c(CC=C(C)C)1)O M END