Mol:FL5FFLNS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -2.3203 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7382 1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6776 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 1.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 0.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7709 -1.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 1.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 2.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3963 2.3001 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 3 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 17 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 31 32 M SBL 5 1 33 M SMT 5 OCH3 M SVB 5 33 0.1037 1.4341 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 29 30 M SBL 4 1 31 M SMT 4 OCH3 M SVB 4 31 1.3114 1.7188 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 27 28 M SBL 3 1 29 M SMT 3 OCH3 M SVB 3 29 0.1037 -1.009 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 2.1617 1.1426 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 -2.6776 0.4583 S SKP 8 ID FL5FFLNS0007 KNApSAcK_ID C00004944 NAME 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate CAS_RN 83159-17-5 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES c(c(OC)3)c(O)c(c(c3OC(C)=O)2)C(=O)C(OC)=C(O2)c(c1)c(c(OC)c(c1)OC)OC M END
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