Mol:FL5FECGL0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1658 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1658 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1658 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1658 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4514 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4514 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2631 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2631 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2631 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2631 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4514 0.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4514 0.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9776 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9776 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6920 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6920 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6920 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6920 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9776 0.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9776 0.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9776 -1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9776 -1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4062 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4062 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1343 -0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1343 -0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8625 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8625 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8625 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8625 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1343 1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1343 1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4062 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4062 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8800 0.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8800 0.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1982 -1.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1982 -1.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4514 -2.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4514 -2.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6766 1.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6766 1.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1343 2.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1343 2.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6790 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6790 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1307 -0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1307 -0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3411 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3411 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5793 0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5793 0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1328 0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1328 0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9395 0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9395 0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1765 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1765 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7487 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7487 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7842 -0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7842 -0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3949 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3949 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9638 -1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9638 -1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7930 -1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7930 -1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6271 -1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6271 -1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0584 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0584 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2291 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2291 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8019 -0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8019 -0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5720 -0.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5720 -0.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6613 -0.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6613 -0.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0835 -0.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0835 -0.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0835 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0835 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3986 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3986 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3986 -2.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3986 -2.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4052 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4052 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6613 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6613 1.0319 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 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 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 33 19 1 0 0 0 0 | + | 33 19 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 2 41 1 0 0 0 0 | + | 2 41 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 28 45 1 0 0 0 0 | + | 28 45 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 41 42 | + | M SAL 1 2 41 42 |
| − | M SBL 1 1 46 | + | M SBL 1 1 46 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 46 0.9176 -0.1174 | + | M SBV 1 46 0.9176 -0.1174 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 43 44 | + | M SAL 2 2 43 44 |
| − | M SBL 2 1 48 | + | M SBL 2 1 48 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 48 -0.7715 -0.1279 | + | M SBV 2 48 -0.7715 -0.1279 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 45 46 | + | M SAL 3 2 45 46 |
| − | M SBL 3 1 50 | + | M SBL 3 1 50 |
| − | M SMT 3 ^ CH2OH | + | M SMT 3 ^ CH2OH |
| − | M SBV 3 50 0.4657 -0.4564 | + | M SBV 3 50 0.4657 -0.4564 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FECGL0006 | + | ID FL5FECGL0006 |
| − | FORMULA C28H32O18 | + | FORMULA C28H32O18 |
| − | EXACTMASS 656.1588642199999 | + | EXACTMASS 656.1588642199999 |
| − | AVERAGEMASS 656.54288 | + | AVERAGEMASS 656.54288 |
| − | SMILES c(c25)(C(=O)C(=C(O5)c(c4)cc(c(O)c4)O)OC(O3)C(O)C(C(O)C3CO)O)c(O)c(c(c2)OC(O1)C(O)C(O)C(C(CO)1)O)OC | + | SMILES c(c25)(C(=O)C(=C(O5)c(c4)cc(c(O)c4)O)OC(O3)C(O)C(C(O)C3CO)O)c(O)c(c(c2)OC(O1)C(O)C(O)C(C(CO)1)O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-1.1658 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1658 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4514 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2631 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2631 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4514 0.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9776 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9776 0.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9776 -1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 -0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8625 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8625 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 0.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1982 -1.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4514 -2.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6766 1.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 2.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6790 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1307 -0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3411 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5793 0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1328 0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9395 0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1765 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7487 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7842 -0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3949 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9638 -1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7930 -1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6271 -1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0584 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2291 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8019 -0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5720 -0.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6613 -0.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 -0.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3986 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3986 -2.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4052 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6613 1.0319 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
16 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 18 1 0 0 0 0
32 33 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 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
33 19 1 0 0 0 0
41 42 1 0 0 0 0
2 41 1 0 0 0 0
43 44 1 0 0 0 0
35 43 1 0 0 0 0
45 46 1 0 0 0 0
28 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ OCH3
M SBV 1 46 0.9176 -0.1174
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 CH2OH
M SBV 2 48 -0.7715 -0.1279
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 45 46
M SBL 3 1 50
M SMT 3 ^ CH2OH
M SBV 3 50 0.4657 -0.4564
S SKP 5
ID FL5FECGL0006
FORMULA C28H32O18
EXACTMASS 656.1588642199999
AVERAGEMASS 656.54288
SMILES c(c25)(C(=O)C(=C(O5)c(c4)cc(c(O)c4)O)OC(O3)C(O)C(C(O)C3CO)O)c(O)c(c(c2)OC(O1)C(O)C(O)C(C(CO)1)O)OC
M END
