Mol:FL3FAAGS0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -0.3625 -0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1938 -1.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 -0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1938 -0.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3064 -1.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8627 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8627 -0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3064 -0.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3064 -2.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 -0.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5527 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 -0.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1938 -2.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 0.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2312 -0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1706 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5666 -1.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0055 -0.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6449 -0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1196 -1.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4741 -1.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 -1.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0348 -0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0348 0.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 1.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3514 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5886 1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9771 1.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 2.5152 0.0000 O 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 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 S SKP 8 ID FL3FAAGS0037 KNApSAcK_ID C00004173 NAME Apigenin 7-(6''-E-Caffeoylglucoside);7-[[6-O-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 52073-84-4 FORMULA C30H26O13 EXACTMASS 594.137340918 AVERAGEMASS 594.51964 SMILES c(O)(c5)ccc(c5)C(O4)=CC(c(c34)c(cc(c3)OC(O1)C(C(C(C(COC(C=Cc(c2)ccc(O)c2O)=O)1)O)O)O)O)=O M END