Mol:FL3FGANS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -0.3659 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 -0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3341 1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 1.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 -0.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 -1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 2.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0845 -1.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 2.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 2.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 2.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 2.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5062 -0.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5062 -1.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 -1.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2167 -1.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2167 -2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9258 -1.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 5 1 0 0 0 0 2 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 1 2 0 0 0 0 3 12 2 0 0 0 0 7 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 7 1 0 0 0 0 11 18 1 0 0 0 0 15 19 1 0 0 0 0 9 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL5FGANS0011 KNApSAcK_ID C00013543 NAME Thymusin 6-isobutyrate;5,6,4'-Trihydroxy-7,8-dimethoxy flavone 6-isobutyrate;5-Hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4-oxo-4H-1-benzopyran-6-yl ester 2-methyl-propanoic acid CAS_RN 264608-83-5 FORMULA C21H20O8 EXACTMASS 400.11581761599996 AVERAGEMASS 400.3787 SMILES O(c23)C(=CC(c2c(O)c(OC(=O)C(C)C)c(c(OC)3)OC)=O)c(c1)ccc(O)c1 M END