Mol:FL5FAAGS0091
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 52 57 0 0 0 0 0 0 0 0999 V2000 | + | 52 57 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3161 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3161 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3161 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3161 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0306 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0306 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7451 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7451 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7451 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7451 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0306 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0306 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6015 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6015 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8871 1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8871 1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1726 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1726 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1726 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1726 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8871 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8871 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6015 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6015 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5419 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5419 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2563 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2563 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2563 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2563 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5419 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5419 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8871 -0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8871 -0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9708 1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9708 1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2080 0.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2080 0.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3458 2.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3458 2.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5419 -0.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5419 -0.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8617 -2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8617 -2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6798 -2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6798 -2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7934 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7934 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3077 -0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3077 -0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4895 -0.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4895 -0.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3758 -1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3758 -1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6393 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6393 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1230 -1.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1230 -1.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6187 -1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6187 -1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1898 -3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1898 -3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7082 -1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7082 -1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2110 -2.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2110 -2.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6276 -2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6276 -2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9109 -2.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9109 -2.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0860 -2.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0860 -2.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6693 -2.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6693 -2.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3861 -2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3861 -2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7944 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7944 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5491 -2.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5491 -2.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8528 -2.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8528 -2.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4149 -2.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4149 -2.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2105 -2.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2105 -2.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5160 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5160 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5160 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5160 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3323 -0.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3323 -0.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9646 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9646 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8811 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8811 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3323 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3323 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9222 1.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9222 1.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8811 0.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8811 0.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3458 -0.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3458 -0.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 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 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 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 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 30 1 0 0 0 0 | + | 36 30 1 0 0 0 0 |
| − | 49 44 1 1 0 0 0 | + | 49 44 1 1 0 0 0 |
| − | 48 44 1 1 0 0 0 | + | 48 44 1 1 0 0 0 |
| − | 47 49 1 1 0 0 0 | + | 47 49 1 1 0 0 0 |
| − | 49 46 1 0 0 0 0 | + | 49 46 1 0 0 0 0 |
| − | 50 47 1 0 0 0 0 | + | 50 47 1 0 0 0 0 |
| − | 48 50 1 0 0 0 0 | + | 48 50 1 0 0 0 0 |
| − | 18 47 1 0 0 0 0 | + | 18 47 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0091 | + | ID FL5FAAGS0091 |
| − | FORMULA C32H38O20 | + | FORMULA C32H38O20 |
| − | EXACTMASS 742.1956436559999 | + | EXACTMASS 742.1956436559999 |
| − | AVERAGEMASS 742.63212 | + | AVERAGEMASS 742.63212 |
| − | SMILES C(C(O1)C(C(O)C(Oc(c6)cc(c(c(O)6)5)OC(=C(C5=O)OC(O4)C(O)C(C(C4CO)OC(C3O)OC(C(C3O)O)CO)O)c(c2)ccc(O)c2)1)O)O | + | SMILES C(C(O1)C(C(O)C(Oc(c6)cc(c(c(O)6)5)OC(=C(C5=O)OC(O4)C(O)C(C(C4CO)OC(C3O)OC(C(C3O)O)CO)O)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/
52 57 0 0 0 0 0 0 0 0999 V2000
2.3161 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3161 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0306 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7451 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7451 2.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0306 3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8871 1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1726 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1726 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8871 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8871 -0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9708 1.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2080 0.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3458 2.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 -0.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8617 -2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6798 -2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7934 -1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3077 -0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4895 -0.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3758 -1.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6393 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1230 -1.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 -1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1898 -3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7082 -1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2110 -2.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6276 -2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 -2.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0860 -2.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6693 -2.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3861 -2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7944 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5491 -2.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8528 -2.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4149 -2.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2105 -2.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5160 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5160 1.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3323 -0.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9646 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8811 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3323 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9222 1.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8811 0.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3458 -0.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 19 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
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 30 1 0 0 0 0
49 44 1 1 0 0 0
48 44 1 1 0 0 0
47 49 1 1 0 0 0
49 46 1 0 0 0 0
50 47 1 0 0 0 0
48 50 1 0 0 0 0
18 47 1 0 0 0 0
44 45 1 0 0 0 0
48 51 1 0 0 0 0
51 52 1 0 0 0 0
S SKP 5
ID FL5FAAGS0091
FORMULA C32H38O20
EXACTMASS 742.1956436559999
AVERAGEMASS 742.63212
SMILES C(C(O1)C(C(O)C(Oc(c6)cc(c(c(O)6)5)OC(=C(C5=O)OC(O4)C(O)C(C(C4CO)OC(C3O)OC(C(C3O)O)CO)O)c(c2)ccc(O)c2)1)O)O
M END
