Mol:FL5FECGL0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 55 60 0 0 0 0 0 0 0 0999 V2000 | + | 55 60 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1573 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1573 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1573 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1573 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4428 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4428 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7283 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7283 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7283 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7283 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4428 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4428 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0138 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0138 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2993 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2993 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2993 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2993 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0138 1.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0138 1.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0138 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0138 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4147 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4147 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1430 1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1430 1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8712 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8712 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8712 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8712 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1430 3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1430 3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4147 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4147 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8993 1.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8993 1.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4428 -0.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4428 -0.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5992 3.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5992 3.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5527 0.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5527 0.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1430 4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1430 4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0798 -0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0798 -0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3693 -0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3693 -0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5947 -1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5947 -1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3693 -1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3693 -1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0798 -2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0798 -2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8544 -1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8544 -1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9197 0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9197 0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3978 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3978 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9692 -3.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9692 -3.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5612 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5612 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4193 -3.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4193 -3.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9425 -3.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9425 -3.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2560 -3.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2560 -3.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5936 -3.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5936 -3.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0749 -3.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0749 -3.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6756 -3.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6756 -3.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0572 -3.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0572 -3.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6430 -3.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6430 -3.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5107 -4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5107 -4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0594 -3.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0594 -3.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4382 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4382 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0982 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0982 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8758 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8758 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6038 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6038 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4900 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4900 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0982 0.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0982 0.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8758 0.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8758 0.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8947 0.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8947 0.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9769 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9769 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8758 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8758 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8993 -0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8993 -0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2272 -2.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2272 -2.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2036 -3.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2036 -3.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 3 1 0 0 0 0 | + | 19 3 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 42 32 1 0 0 0 0 | + | 42 32 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 43 1 0 0 0 0 | + | 47 43 1 0 0 0 0 |
| − | 44 48 1 0 0 0 0 | + | 44 48 1 0 0 0 0 |
| − | 45 49 1 0 0 0 0 | + | 45 49 1 0 0 0 0 |
| − | 43 29 1 0 0 0 0 | + | 43 29 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 2 50 1 0 0 0 0 | + | 2 50 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 38 54 1 0 0 0 0 | + | 38 54 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 50 51 | + | M SAL 1 2 50 51 |
| − | M SBL 1 1 56 | + | M SBL 1 1 56 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 56 0.7373 0.4257 | + | M SBV 1 56 0.7373 0.4257 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 52 53 | + | M SAL 2 2 52 53 |
| − | M SBL 2 1 58 | + | M SBL 2 1 58 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 58 0.0000 0.5694 | + | M SBV 2 58 0.0000 0.5694 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 54 55 | + | M SAL 3 2 54 55 |
| − | M SBL 3 1 60 | + | M SBL 3 1 60 |
| − | M SMT 3 ^CH2OH | + | M SMT 3 ^CH2OH |
| − | M SBV 3 60 0.5516 -0.6346 | + | M SBV 3 60 0.5516 -0.6346 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FECGL0007 | + | ID FL5FECGL0007 |
| − | FORMULA C33H40O22 | + | FORMULA C33H40O22 |
| − | EXACTMASS 788.201122964 | + | EXACTMASS 788.201122964 |
| − | AVERAGEMASS 788.6575 | + | AVERAGEMASS 788.6575 |
| − | SMILES c(O)(c1)c(O)cc(C(=C(OC(O4)C(OC(C6O)OCC(O)6CO)C(O)C(O)C4COC(C(O)5)OC(CO)C(O)C5O)3)Oc(c(C3=O)2)cc(O)c(OC)c2O)c1 | + | SMILES c(O)(c1)c(O)cc(C(=C(OC(O4)C(OC(C6O)OCC(O)6CO)C(O)C(O)C4COC(C(O)5)OC(CO)C(O)C5O)3)Oc(c(C3=O)2)cc(O)c(OC)c2O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
-3.1573 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1573 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4428 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7283 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7283 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4428 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0138 0.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2993 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2993 1.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0138 1.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0138 -0.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1430 1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8712 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8712 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1430 3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8993 1.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4428 -0.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5992 3.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5527 0.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1430 4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0798 -0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3693 -0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5947 -1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3693 -1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0798 -2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8544 -1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9197 0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3978 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9692 -3.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5612 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4193 -3.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9425 -3.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 -3.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5936 -3.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0749 -3.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6756 -3.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0572 -3.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6430 -3.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5107 -4.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0594 -3.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4382 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0982 0.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8758 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6038 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4900 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0982 0.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8758 0.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8947 0.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9769 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8758 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8993 -0.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2272 -2.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2036 -3.0822 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
4 3 1 0 0 0 0
1 18 1 0 0 0 0
19 3 1 0 0 0 0
15 20 1 0 0 0 0
21 8 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
24 21 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
42 32 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 43 1 0 0 0 0
44 48 1 0 0 0 0
45 49 1 0 0 0 0
43 29 1 0 0 0 0
50 51 1 0 0 0 0
2 50 1 0 0 0 0
52 53 1 0 0 0 0
45 52 1 0 0 0 0
54 55 1 0 0 0 0
38 54 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 50 51
M SBL 1 1 56
M SMT 1 ^OCH3
M SBV 1 56 0.7373 0.4257
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 52 53
M SBL 2 1 58
M SMT 2 CH2OH
M SBV 2 58 0.0000 0.5694
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 54 55
M SBL 3 1 60
M SMT 3 ^CH2OH
M SBV 3 60 0.5516 -0.6346
S SKP 5
ID FL5FECGL0007
FORMULA C33H40O22
EXACTMASS 788.201122964
AVERAGEMASS 788.6575
SMILES c(O)(c1)c(O)cc(C(=C(OC(O4)C(OC(C6O)OCC(O)6CO)C(O)C(O)C4COC(C(O)5)OC(CO)C(O)C5O)3)Oc(c(C3=O)2)cc(O)c(OC)c2O)c1
M END
