Mol:FL7AAIGL0009
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 |
| − | -2.3209 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3209 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3208 -0.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3208 -0.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5191 -1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5191 -1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7173 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7173 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7173 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7173 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5191 0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5191 0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0846 -1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0846 -1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8863 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8863 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8863 0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8863 0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0846 0.6112 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.0846 0.6112 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6879 0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6879 0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5051 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5051 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3224 0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3224 0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3224 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3224 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5051 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5051 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6879 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6879 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1223 0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1223 0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0609 1.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0609 1.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5191 -2.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5191 -2.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7649 -1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7649 -1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9673 -2.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9673 -2.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7673 -3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7673 -3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4303 -3.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4303 -3.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2078 -3.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2078 -3.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4080 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4080 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7449 -2.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7449 -2.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3648 -3.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3648 -3.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0758 -0.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0758 -0.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6893 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6893 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4327 -1.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4327 -1.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1807 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1807 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5674 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5674 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8239 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8239 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2936 -0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2936 -0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2016 -0.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2016 -0.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4060 -1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4060 -1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8806 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8806 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0869 -1.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0869 -1.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1521 -3.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1521 -3.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0722 -4.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0722 -4.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3711 -3.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3711 -3.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0990 -2.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0990 -2.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5999 -2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5999 -2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8813 -2.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8813 -2.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1322 -2.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1322 -2.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6919 -2.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6919 -2.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4259 -2.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4259 -2.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7806 -2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7806 -2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2953 -2.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2953 -2.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1587 -3.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1587 -3.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5051 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5051 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1413 4.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1413 4.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1018 -1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1018 -1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5229 -1.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5229 -1.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0815 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0815 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5229 0.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5229 0.1725 0.0000 C 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 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 19 1 0 0 0 0 | + | 45 19 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 15 51 1 0 0 0 0 | + | 15 51 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 47 53 1 0 0 0 0 | + | 47 53 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 13 55 1 0 0 0 0 | + | 13 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 51 52 | + | M SAL 1 2 51 52 |
| − | M SBL 1 1 57 | + | M SBL 1 1 57 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 57 0.0000 -0.7506 | + | M SBV 1 57 0.0000 -0.7506 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 53 54 | + | M SAL 2 2 53 54 |
| − | M SBL 2 1 59 | + | M SBL 2 1 59 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 59 0.6759 -0.5722 | + | M SBV 2 59 0.6759 -0.5722 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 55 56 | + | M SAL 3 2 55 56 |
| − | M SBL 3 1 61 | + | M SBL 3 1 61 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 61 -0.7591 0.4383 | + | M SBV 3 61 -0.7591 0.4383 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGL0009 | + | ID FL7AAIGL0009 |
| − | FORMULA C35H45O21 | + | FORMULA C35H45O21 |
| − | EXACTMASS 801.245333502 | + | EXACTMASS 801.245333502 |
| − | AVERAGEMASS 801.7192 | + | AVERAGEMASS 801.7192 |
| − | SMILES OC(C(O)1)C(C(OC1Oc(c23)cc(O)cc2[o+1]c(c(c6)cc(OC)c(O)c6OC)c(OC(C5O)OC(C(C5O)O)COC(O4)C(C(C(C4C)O)O)O)c3)CO)O | + | SMILES OC(C(O)1)C(C(OC1Oc(c23)cc(O)cc2[o+1]c(c(c6)cc(OC)c(O)c6OC)c(OC(C5O)OC(C(C5O)O)COC(O4)C(C(C(C4C)O)O)O)c3)CO)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
-2.3209 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3208 -0.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5191 -1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7173 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7173 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5191 0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0846 -1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0846 0.6112 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.6879 0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5051 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3224 0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3224 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5051 2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6879 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1223 0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0609 1.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5191 -2.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7649 -1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9673 -2.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7673 -3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4303 -3.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2078 -3.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4080 -2.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7449 -2.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3648 -3.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0758 -0.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6893 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4327 -1.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1807 -1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5674 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8239 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2936 -0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2016 -0.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4060 -1.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8806 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0869 -1.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1521 -3.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0722 -4.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3711 -3.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0990 -2.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5999 -2.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8813 -2.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1322 -2.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 -2.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4259 -2.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7806 -2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2953 -2.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1587 -3.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5051 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1413 4.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1018 -1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5229 -1.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0815 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5229 0.1725 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 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
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 19 1 0 0 0 0
51 52 1 0 0 0 0
15 51 1 0 0 0 0
53 54 1 0 0 0 0
47 53 1 0 0 0 0
55 56 1 0 0 0 0
13 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 51 52
M SBL 1 1 57
M SMT 1 OCH3
M SBV 1 57 0.0000 -0.7506
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 53 54
M SBL 2 1 59
M SMT 2 ^ CH2OH
M SBV 2 59 0.6759 -0.5722
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 55 56
M SBL 3 1 61
M SMT 3 OCH3
M SBV 3 61 -0.7591 0.4383
S SKP 5
ID FL7AAIGL0009
FORMULA C35H45O21
EXACTMASS 801.245333502
AVERAGEMASS 801.7192
SMILES OC(C(O)1)C(C(OC1Oc(c23)cc(O)cc2[o+1]c(c(c6)cc(OC)c(O)c6OC)c(OC(C5O)OC(C(C5O)O)COC(O4)C(C(C(C4C)O)O)O)c3)CO)O
M END
