Mol:FL5FAAGL0065
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -3.8768 1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8768 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 2.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2079 0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6516 1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2079 2.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2079 0.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5286 1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 2.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5286 3.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 2.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 0.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 0.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3997 0.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 0.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5374 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 1.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0237 0.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 3.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 0.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4878 1.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7786 0.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 -0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 -1.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7565 -1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7565 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -2.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9114 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9114 -1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4878 -1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4878 -2.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -3.0179 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 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 35 1 0 0 0 0 39 41 1 0 0 0 0 38 42 1 0 0 0 0 37 43 1 0 0 0 0 S SKP 8 ID FL5FAAGL0065 KNApSAcK_ID C00005847 NAME Kaempferol 3-(6''-galloylglucoside) CAS_RN 56317-05-6 FORMULA C28H24O15 EXACTMASS 600.111520098 AVERAGEMASS 600.48116 SMILES Oc(c1)c(c(O)cc1C(OCC(C(O)5)OC(C(O)C5O)OC(=C3c(c4)ccc(O)c4)C(c(c(O3)2)c(cc(O)c2)O)=O)=O)O M END