Mol:FL3FEAGS0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -0.3323 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 -0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6538 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 -1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 -1.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6538 -0.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9058 -2.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6524 -1.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3271 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3271 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6524 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 -3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0093 -0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7671 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0103 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 -1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8691 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 -0.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7463 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6837 0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 -1.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3788 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2209 1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3561 2.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3716 2.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0231 1.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7263 0.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8457 0.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 1.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 3.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 -2.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 0.3827 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 3 18 1 0 0 0 0 19 1 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 25 29 1 0 0 0 0 23 19 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 29 36 1 0 0 0 0 33 39 1 0 0 0 0 2 40 1 0 0 0 0 15 41 1 0 0 0 0 S SKP 5 ID FL3FEAGS0028 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES c(c1)(ccc(C(=C2)Oc(c3)c(c(c(c3OC(C5O)OC(C(C5O)O)COC(O4)C(O)C(C(O)C4)O)O)O)C2=O)c1)O M END