Mol:FL5FDANS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.0624 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8949 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 -1.4198 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 15 18 1 0 0 0 0 8 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -1.9425 -1.0073 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -2.4197 0.7355 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 0.3617 -0.7319 S SKP 8 ID FL5FDANS0004 KNApSAcK_ID C00004572 NAME Kaempferol 3,5,7-trimethyl ether CAS_RN 59259-80-2 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES O(c12)C(c(c3)ccc(O)c3)=C(C(c(c(OC)cc(OC)c2)1)=O)OC M END
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