Mol:FL5FADGL0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -4.5399 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5399 -1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 -1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1108 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 -1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 -0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 0.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -2.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0538 -0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6744 0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6744 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0538 1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7821 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 -2.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4169 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3934 0.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 -1.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4707 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7121 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9216 -1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3956 -1.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -1.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -1.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 -1.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6525 -1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8839 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5663 -2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1254 -1.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 -1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -1.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 -1.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1573 -1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 -2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0391 2.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 3.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -2.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1191 -3.4497 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 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 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 30 1 0 0 0 0 30 8 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 32 29 1 0 0 0 0 40 41 1 0 0 0 0 24 40 1 0 0 0 0 42 43 1 0 0 0 0 16 42 1 0 0 0 0 44 45 1 0 0 0 0 34 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 CH2OH M SBV 1 45 -0.7182 0.0632 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 47 M SMT 2 OCH3 M SBV 2 47 -0.0147 -0.7593 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 44 45 M SBL 3 1 49 M SMT 3 CH2OH M SBV 3 49 -0.8271 -0.1037 S SKP 5 ID FL5FADGL0005 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES O(C(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c(O4)3)c(cc(O)c3)O)C(O1)C(O)C(O)C(OC(O2)C(O)C(C(O)C2CO)O)C1CO M END