Mol:FL7AAHGL0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 56 61 0 0 0 0 0 0 0 0999 V2000 | + | 56 61 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9045 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9045 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9045 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9045 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1900 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1900 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4756 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4756 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4756 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4756 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1900 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1900 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7611 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7611 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0467 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0467 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0467 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0467 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7611 1.4006 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.7611 1.4006 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6675 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6675 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3957 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3957 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1238 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1238 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1238 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1238 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3957 2.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3957 2.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6675 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6675 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6187 1.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6187 1.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8455 2.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8455 2.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1900 -1.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1900 -1.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8518 0.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8518 0.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7832 -0.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7832 -0.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7905 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7905 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2628 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2628 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9500 -0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9500 -0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5115 -1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5115 -1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0393 -0.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0393 -0.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3520 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3520 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1801 -0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1801 -0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9658 -0.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9658 -0.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5914 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5914 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2019 -1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2019 -1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5264 -1.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5264 -1.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8308 -3.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8308 -3.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5994 -3.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5994 -3.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8271 -3.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8271 -3.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4032 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4032 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5338 -2.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5338 -2.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3295 -3.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3295 -3.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7539 -4.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7539 -4.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2382 -4.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2382 -4.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6187 -3.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6187 -3.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6910 -3.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6910 -3.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2377 -3.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2377 -3.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1986 -2.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1986 -2.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7566 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7566 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1202 -3.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1202 -3.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4938 -3.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4938 -3.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0476 -2.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0476 -2.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6025 -3.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6025 -3.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7654 -3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7654 -3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4406 -3.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4406 -3.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4108 -3.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4108 -3.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4105 3.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4105 3.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9774 4.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9774 4.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2148 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2148 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4809 -2.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4809 -2.3418 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 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 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 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 |
| − | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
| − | 36 32 1 0 0 0 0 | + | 36 32 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 52 1 0 0 0 0 | + | 46 52 1 0 0 0 0 |
| − | 47 43 1 0 0 0 0 | + | 47 43 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 15 53 1 0 0 0 0 | + | 15 53 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 49 55 1 0 0 0 0 | + | 49 55 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 53 54 | + | M SAL 1 2 53 54 |
| − | M SBL 1 1 59 | + | M SBL 1 1 59 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 59 -0.0147 -0.6148 | + | M SBV 1 59 -0.0147 -0.6148 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 55 56 | + | M SAL 2 2 55 56 |
| − | M SBL 2 1 61 | + | M SBL 2 1 61 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 61 0.6124 -0.5394 | + | M SBV 2 61 0.6124 -0.5394 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAHGL0006 | + | ID FL7AAHGL0006 |
| − | FORMULA C34H43O22 | + | FORMULA C34H43O22 |
| − | EXACTMASS 803.2245980600001 | + | EXACTMASS 803.2245980600001 |
| − | AVERAGEMASS 803.69202 | + | AVERAGEMASS 803.69202 |
| − | SMILES C(O)(C5O)C(C(OC5COC(O6)C(C(O)C(C6CO)O)O)OCC(C(O)1)OC(Oc(c3)c(c(c4)cc(OC)c(O)c4O)[o+1]c(c23)cc(O)cc2O)C(O)C1O)O | + | SMILES C(O)(C5O)C(C(OC5COC(O6)C(C(O)C(C6CO)O)O)OCC(C(O)1)OC(Oc(c3)c(c(c4)cc(OC)c(O)c4O)[o+1]c(c23)cc(O)cc2O)C(O)C1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
56 61 0 0 0 0 0 0 0 0999 V2000
-2.9045 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9045 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1900 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1900 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7611 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0467 0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0467 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7611 1.4006 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.6675 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3957 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1238 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1238 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3957 2.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6675 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6187 1.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8455 2.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1900 -1.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8518 0.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7832 -0.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7905 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2628 -0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9500 -0.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5115 -1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0393 -0.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3520 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1801 -0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9658 -0.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5914 -1.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2019 -1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5264 -1.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8308 -3.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5994 -3.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8271 -3.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4032 -2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5338 -2.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3295 -3.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7539 -4.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2382 -4.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6187 -3.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6910 -3.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2377 -3.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1986 -2.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7566 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1202 -3.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4938 -3.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0476 -2.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6025 -3.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7654 -3.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4406 -3.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4108 -3.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4105 3.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9774 4.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2148 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4809 -2.3418 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
13 20 1 0 0 0 0
21 8 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
26 30 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
23 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
38 42 1 0 0 0 0
36 32 1 0 0 0 0
42 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 43 1 0 0 0 0
53 54 1 0 0 0 0
15 53 1 0 0 0 0
55 56 1 0 0 0 0
49 55 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 OCH3
M SBV 1 59 -0.0147 -0.6148
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 55 56
M SBL 2 1 61
M SMT 2 ^ CH2OH
M SBV 2 61 0.6124 -0.5394
S SKP 5
ID FL7AAHGL0006
FORMULA C34H43O22
EXACTMASS 803.2245980600001
AVERAGEMASS 803.69202
SMILES C(O)(C5O)C(C(OC5COC(O6)C(C(O)C(C6CO)O)O)OCC(C(O)1)OC(Oc(c3)c(c(c4)cc(OC)c(O)c4O)[o+1]c(c23)cc(O)cc2O)C(O)C1O)O
M END
