Mol:FL3FFAGS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -0.0605 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0605 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3684 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7973 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7973 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2262 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2262 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 1.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6962 0.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 1.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9804 0.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1821 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9535 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0415 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6289 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8305 -0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4496 -0.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6307 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3152 0.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 -0.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3237 -0.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4011 -1.0090 0.0000 O 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 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 6 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 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 25 20 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 34 28 1 0 0 0 0 S SKP 5 ID FL3FFAGS0013 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES C(C4O)(O)C(OC(C(O)5)OC(C(O)C5O)CO)C(OC4)Oc(c(O)1)cc(c(C3=O)c(OC(=C3)c(c2)ccc(O)c2)1)O M END