Mol:FL5FAAGL0066
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -2.8036 1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8036 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2473 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2473 1.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 1.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 1.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 0.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 1.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1117 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1117 2.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 2.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 0.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7275 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8652 0.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 0.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 0.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6785 2.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2473 0.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4145 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1975 -0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9508 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1603 -1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4145 -1.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8889 -2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2435 -2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 -1.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -1.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 -2.9266 0.0000 C 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 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 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 S SKP 8 ID FL5FAAGL0066 KNApSAcK_ID C00005848 NAME Kaempferol 3-(6''-(Z)-cinnamylglucoside) CAS_RN 134779-23-0 FORMULA C30H26O12 EXACTMASS 578.1424262959999 AVERAGEMASS 578.5202400000001 SMILES C(=CC(OCC(O2)C(O)C(O)C(O)C(OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)2)=O)c(c1)cccc1 M END