Mol:FL5FDCNF0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.2652 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2652 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2169 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8761 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -0.4971 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8761 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2169 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2169 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -1.8182 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 3 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 2 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 16 26 1 0 0 0 0 6 27 1 0 0 0 0 8 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 1.1589 -1.0246 S SKP 8 ID FL5FDCNF0002 KNApSAcK_ID C00005105 NAME 8-C-Methylvelloquercetin 3-methyl ether CAS_RN 148335-05-1 FORMULA C22H20O7 EXACTMASS 396.120902994 AVERAGEMASS 396.39 SMILES O(C4C(C)=C)c(c(C)1)c(C4)c(O)c(C(=O)3)c(OC(=C(OC)3)c(c2)ccc(c2O)O)1 M END
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