Mol:FL5FAAGL0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -3.5194 1.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 1.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 2.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 0.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7154 0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7154 1.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 2.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 -0.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 2.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4144 2.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4144 2.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 3.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 2.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8184 -0.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2202 2.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1287 3.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 -2.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 -2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 -1.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3426 -1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 -0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -1.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1604 0.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -0.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -2.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1685 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8182 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6566 -0.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0006 0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 -0.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 -0.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 -0.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2202 0.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -3.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6429 -3.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 -2.2801 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 1 19 1 0 0 0 0 15 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 23 29 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 31 36 1 0 0 0 0 32 37 1 0 0 0 0 30 28 1 0 0 0 0 33 38 1 0 0 0 0 22 39 1 0 0 0 0 27 8 1 0 0 0 0 40 41 1 0 0 0 0 21 40 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 0.1937 0.8194 S SKP 5 ID FL5FAAGL0005 FORMULA C26H28O15 EXACTMASS 580.1428202259999 AVERAGEMASS 580.49152 SMILES c(O4)(c(C(C(=C4c(c5)ccc(c5)O)OC(O2)C(OC(C3O)OCC(C3O)O)C(O)C(C2CO)O)=O)1)cc(O)cc1O M END