Mol:FL5FGLNS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -2.9350 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4088 -0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5732 -0.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 0.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1554 -0.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 0.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 0.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8504 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4437 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 1.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3296 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 0.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5732 1.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2726 -0.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5307 2.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6178 3.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 -1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7723 1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1461 -1.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1334 -1.2993 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 28 29 M SBL 4 1 30 M SMT 4 OCH3 M SVB 4 30 -1.2281 1.0455 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 0.3617 -0.6973 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -2.7769 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 2.0624 0.2661 S SKP 8 ID FL5FGLNS0007 KNApSAcK_ID C00004851 NAME 5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone CAS_RN 96887-21-7 FORMULA C19H18O10 EXACTMASS 406.089996796 AVERAGEMASS 406.34022000000004 SMILES c(c(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)OC)1)(O)cc(O)c(OC)c1 M END
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