Mol:FL5FAAGL0037
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.3999 2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3999 2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3999 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3999 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6854 1.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6854 1.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0290 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0290 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0290 2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0290 2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6854 2.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6854 2.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7434 1.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7434 1.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4579 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4579 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4579 2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4579 2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7434 2.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7434 2.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7434 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7434 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1720 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1720 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9001 2.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9001 2.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6282 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6282 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6282 3.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6282 3.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9001 3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9001 3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1720 3.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1720 3.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6854 0.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6854 0.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1140 2.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1140 2.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3561 3.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3561 3.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2995 1.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2995 1.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7705 -0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7705 -0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9082 0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9082 0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1819 -0.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1819 -0.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9082 -1.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9082 -1.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7705 -2.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7705 -2.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4969 -1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4969 -1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6506 0.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6506 0.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1798 -1.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1798 -1.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4108 1.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4108 1.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9790 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9790 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7970 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7970 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5864 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5864 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0129 1.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0129 1.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2971 0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2971 0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2390 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2390 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5973 0.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5973 0.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0335 1.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0335 1.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8857 2.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8857 2.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3613 2.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3613 2.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6063 2.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6063 2.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8776 2.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8776 2.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4071 2.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4071 2.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0676 2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0676 2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5335 2.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5335 2.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1642 2.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1642 2.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9247 1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9247 1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6875 -2.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6875 -2.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0053 -2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0053 -2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9443 -4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9443 -4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7182 1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7182 1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4775 2.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4775 2.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6615 3.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6615 3.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.0335 3.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.0335 3.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6847 4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6847 4.2130 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
| − | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 39 40 1 1 0 0 0 | + | 39 40 1 1 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 42 41 1 1 0 0 0 | + | 42 41 1 1 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 39 1 0 0 0 0 | + | 44 39 1 0 0 0 0 |
| − | 39 45 1 0 0 0 0 | + | 39 45 1 0 0 0 0 |
| − | 40 46 1 0 0 0 0 | + | 40 46 1 0 0 0 0 |
| − | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
| − | 42 19 1 0 0 0 0 | + | 42 19 1 0 0 0 0 |
| − | 26 48 1 0 0 0 0 | + | 26 48 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 25 49 1 0 0 0 0 | + | 25 49 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 34 51 1 0 0 0 0 | + | 34 51 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 53 55 1 0 0 0 0 | + | 53 55 1 0 0 0 0 |
| − | 44 53 1 0 0 0 0 | + | 44 53 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 49 50 | + | M SAL 1 2 49 50 |
| − | M SBL 1 1 55 | + | M SBL 1 1 55 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 55 -0.0971 1.4268 | + | M SBV 1 55 -0.0971 1.4268 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 51 52 | + | M SAL 2 2 51 52 |
| − | M SBL 2 1 57 | + | M SBL 2 1 57 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 57 -0.7053 -0.3016 | + | M SBV 2 57 -0.7053 -0.3016 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 3 53 54 55 | + | M SAL 3 3 53 54 55 |
| − | M SBL 3 1 60 | + | M SBL 3 1 60 |
| − | M SMT 3 ^ COOH | + | M SMT 3 ^ COOH |
| − | M SBV 3 60 0.5939 -0.6567 | + | M SBV 3 60 0.5939 -0.6567 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0037 | + | ID FL5FAAGL0037 |
| − | FORMULA C33H38O22 | + | FORMULA C33H38O22 |
| − | EXACTMASS 786.1854728999999 | + | EXACTMASS 786.1854728999999 |
| − | AVERAGEMASS 786.64162 | + | AVERAGEMASS 786.64162 |
| − | SMILES C(O)(C(O)6)C(C(OC(C(O)=O)6)Oc(c5)cc(O1)c(c(O)5)C(C(OC(O4)C(C(O)C(C(CO)4)O)OC(O3)C(C(O)C(C(CO)3)O)O)=C(c(c2)ccc(O)c2)1)=O)O | + | SMILES C(O)(C(O)6)C(C(OC(C(O)=O)6)Oc(c5)cc(O1)c(c(O)5)C(C(OC(O4)C(C(O)C(C(CO)4)O)OC(O3)C(C(O)C(C(CO)3)O)O)=C(c(c2)ccc(O)c2)1)=O)O |
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
-1.3999 2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3999 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6854 1.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0290 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0290 2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6854 2.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7434 1.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4579 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4579 2.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7434 2.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7434 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1720 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9001 2.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6282 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6282 3.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9001 3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1720 3.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6854 0.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1140 2.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3561 3.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2995 1.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7705 -0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9082 0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1819 -0.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9082 -1.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7705 -2.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4969 -1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6506 0.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1798 -1.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4108 1.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9790 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7970 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5864 0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0129 1.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2971 0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2390 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5973 0.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0335 1.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8857 2.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3613 2.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6063 2.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8776 2.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4071 2.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0676 2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5335 2.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1642 2.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9247 1.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6875 -2.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0053 -2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9443 -4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7182 1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4775 2.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6615 3.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0335 3.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6847 4.2130 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
8 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
22 28 1 0 0 0 0
27 29 1 0 0 0 0
23 21 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
28 30 1 0 0 0 0
33 38 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 19 1 0 0 0 0
26 48 1 0 0 0 0
49 50 1 0 0 0 0
25 49 1 0 0 0 0
51 52 1 0 0 0 0
34 51 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
44 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 49 50
M SBL 1 1 55
M SMT 1 CH2OH
M SBV 1 55 -0.0971 1.4268
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 51 52
M SBL 2 1 57
M SMT 2 CH2OH
M SBV 2 57 -0.7053 -0.3016
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 53 54 55
M SBL 3 1 60
M SMT 3 ^ COOH
M SBV 3 60 0.5939 -0.6567
S SKP 5
ID FL5FAAGL0037
FORMULA C33H38O22
EXACTMASS 786.1854728999999
AVERAGEMASS 786.64162
SMILES C(O)(C(O)6)C(C(OC(C(O)=O)6)Oc(c5)cc(O1)c(c(O)5)C(C(OC(O4)C(C(O)C(C(CO)4)O)OC(O3)C(C(O)C(C(CO)3)O)O)=C(c(c2)ccc(O)c2)1)=O)O
M END
