Mol:FL5FF8NS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.0624 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8948 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9198 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 1.7995 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 14 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 -1.2281 0.8998 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 -2.4197 0.6243 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 0.3617 -0.843 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 0.3617 1.6001 S SKP 8 ID FL5FF8NS0007 KNApSAcK_ID C00004720 NAME 5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone CAS_RN 117278-71-4 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)1)(OC)ccc(O)c1 M END
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