Mol:FL2FA9NI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -0.8472 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8217 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2045 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7046 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 2 19 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 1 24 1 0 0 0 0 24 25 1 0 0 0 0 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 -1.2045 0.77 S SKP 8 ID FL2FA9NI0004 KNApSAcK_ID C00008172 NAME 5-Hydroxy-7-methoxy-6-C-prenylflavanone CAS_RN 55051-79-1 FORMULA C21H22O4 EXACTMASS 338.151809192 AVERAGEMASS 338.39698 SMILES COc(c(CC=C(C)C)1)cc(O2)c(C(=O)CC(c(c3)cccc3)2)c1O M END