Mol:FL5FAAGA0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.4922 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8843 1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8843 1.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 2.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1001 1.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1001 1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7134 1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7134 1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 2.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5122 1.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 0.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2988 0.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 2.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 1.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 2.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 3.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 2.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5347 2.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -0.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 0.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 0.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2901 0.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 0.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 0.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 0.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7193 0.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 0.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4413 -0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 -0.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5122 -1.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -1.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 -2.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0308 -2.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0308 -2.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -3.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 -2.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5244 -3.0726 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 2 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 3 1 0 0 0 0 5 11 1 0 0 0 0 1 12 1 0 0 0 0 7 13 2 0 0 0 0 9 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 21 26 1 1 0 0 0 8 27 1 0 0 0 0 27 25 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 22 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 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 42 1 0 0 0 0 42 37 2 0 0 0 0 40 43 1 0 0 0 0 S SKP 8 ID FL5FAAGA0030 KNApSAcK_ID C00005842 NAME Kaempferol 3-(6''-p-coumarylgalactoside) CAS_RN 72691-81-7,68170-52-5 FORMULA C30H26O13 EXACTMASS 594.137340918 AVERAGEMASS 594.51964 SMILES C(c(c5)ccc(O)c5)=CC(=O)OCC(O1)C(O)C(O)C(O)C(OC(=C2c(c4)ccc(c4)O)C(c(c(O)3)c(cc(O)c3)O2)=O)1 M END