Mol:FL5FAAGL0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -3.0802 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5239 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9676 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9676 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5239 1.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 1.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 -0.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 1.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 2.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 1.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2069 -0.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1963 -0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5885 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 0.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4018 2.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5239 -0.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -1.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4669 -2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 -2.2551 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 S SKP 8 ID FL5FAAGL0061 KNApSAcK_ID C00005843 NAME Kaempferol 3-(6''-acetylglucoside);6''-O-Acetylastragalin CAS_RN 118169-27-0 FORMULA C23H22O12 EXACTMASS 490.111126168 AVERAGEMASS 490.41358 SMILES C(=O)(C=2OC(O4)C(O)C(C(C(COC(C)=O)4)O)O)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O M END