Mol:FL5FCAGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 0.0068 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7212 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7212 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1366 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1366 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5656 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5656 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2801 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0364 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0127 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2825 1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6149 1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 1.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0763 0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9268 1.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6834 1.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 1.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0127 0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 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 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 26 32 1 0 0 0 0 32 33 1 0 0 0 0 24 20 1 0 0 0 0 S SKP 8 ID FL5FCAGS0007 KNApSAcK_ID C00013810 NAME Kaempferol 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one CAS_RN 178402-89-6 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES C(=C2c(c4)ccc(c4)OC(C(O)3)OC(CO)C(O)C3O)(C(c(c(O2)1)c(cc(c1)OC)O)=O)O M END