Mol:FL5FEANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -3.0121 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0121 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9032 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9032 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5689 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0356 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1633 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1633 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6998 -0.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -0.8071 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 0 0 0 0 2 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 -3.7265 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -0.5766 -0.6761 S SKP 8 ID FL5FEANI0002 KNApSAcK_ID C00004999 NAME 5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone CAS_RN 160036-23-7 FORMULA C22H22O7 EXACTMASS 398.136553058 AVERAGEMASS 398.40588 SMILES O(C(c(c3)ccc(OCC=C(C)C)c3)=2)c(c1)c(C(C2OC)=O)c(c(OC)c1O)O M END