Mol:FL5FACGA0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 59 64 0 0 0 0 0 0 0 0999 V2000 -5.2468 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3886 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3886 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 0.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 -1.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 2.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9609 0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 2.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7353 -0.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 -1.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2866 -2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -2.4554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9937 -3.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2866 -3.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 -2.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9844 -3.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -3.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3719 -1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -1.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -1.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0829 -0.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -1.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -1.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 -1.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 -0.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 -0.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 2.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4514 2.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4514 3.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 3.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 3.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 2.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 4.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 3.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0434 3.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9609 2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8871 -4.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 -4.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 3.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1665 4.9855 0.0000 C 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 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 27 28 1 0 0 0 0 26 29 1 0 0 0 0 22 30 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 32 37 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 23 20 1 0 0 0 0 31 30 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 16 53 1 0 0 0 0 54 55 1 0 0 0 0 48 54 1 0 0 0 0 56 57 1 0 0 0 0 25 56 1 0 0 0 0 58 59 1 0 0 0 0 50 58 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 54 55 M SBL 1 1 60 M SMT 1 OCH3 M SBV 1 60 -0.5920 -0.3418 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 56 57 M SBL 2 1 62 M SMT 2 CH2OH M SBV 2 62 -0.1066 0.7799 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 58 59 M SBL 3 1 64 M SMT 3 ^ OCH3 M SBV 3 64 0.4588 -0.7948 S SKP 5 ID FL5FACGA0037 FORMULA C38H40O21 EXACTMASS 832.206208342 AVERAGEMASS 832.7116 SMILES c(c15)c(O)cc(c1C(=O)C(=C(c(c6)ccc(O)c(O)6)O5)OC(C(OC(C3O)OC(COC(C=Cc(c4)cc(c(c(OC)4)O)OC)=O)C(C(O)3)O)2)OC(C(O)C(O)2)CO)O M END