Mol:FL5FAAGS0117
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 2.5056 4.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5056 3.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 3.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 3.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 4.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 5.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7911 3.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 3.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3622 3.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3622 2.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 2.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7911 2.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 3.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 3.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 2.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 2.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 1.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7812 3.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 2.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5352 5.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 1.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0362 -1.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 -1.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 -1.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0225 -2.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6797 -2.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -3.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 -3.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2262 -3.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 -4.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5767 -3.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0898 -5.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8978 -4.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6934 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4546 0.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 1.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1934 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6698 1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 0.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0562 0.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 -0.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 0.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -0.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 -1.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7035 -1.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 -2.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0976 -2.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 -1.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5352 -3.7753 0.0000 C 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 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 38 19 1 0 0 0 0 46 47 1 1 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 51 52 1 0 0 0 0 46 53 1 0 0 0 0 47 54 1 0 0 0 0 48 55 1 0 0 0 0 34 56 1 0 0 0 0 22 52 1 0 0 0 0 49 45 1 0 0 0 0 S SKP 8 ID FL5FAAGS0117 KNApSAcK_ID C00013784 NAME Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside;5,7-Dihydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-galactopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 284677-05-0 FORMULA C37H38O19 EXACTMASS 786.200729034 AVERAGEMASS 786.68622 SMILES COc(c1)c(O)ccc1C=CC(=O)OCC(C6O)OC(C(O)C6O)OC(C(O)5)C(OC(C(O)5)CO)OC(C2=O)=C(c(c4)ccc(O)c4)Oc(c3)c2c(cc3O)O M END
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