Mol:FL5FACGL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.2031 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2031 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8007 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8007 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 1.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 0.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 1.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0994 -0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3027 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0175 1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0175 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3027 2.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9041 1.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 0.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 -0.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5312 3.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 -1.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 -2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -2.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -1.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 -0.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -2.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4175 -3.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1864 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 -0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2925 0.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 0.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 0.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0175 4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0538 -2.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2987 -4.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 -1.1839 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 19 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 31 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 28 31 1 0 0 0 0 16 38 1 0 0 0 0 39 40 1 0 0 0 0 25 39 1 0 0 0 0 41 42 1 0 0 0 0 33 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 ^ CH2OH M SBV 1 44 0.0752 0.7468 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 CH2OH M SBV 2 46 0.0000 0.6641 S SKP 5 ID FL5FACGL0002 FORMULA C26H28O16 EXACTMASS 596.137734848 AVERAGEMASS 596.49092 SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(C(O)C(C(CO)2)O)OC(C(O)1)OCC1(O)CO)=O)O M END