Mol:FL5FAAGS0116
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 54 59 0 0 0 0 0 0 0 0999 V2000 | + | 54 59 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.5665 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5665 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5665 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5665 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2810 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2810 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9955 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9955 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9955 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9955 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2810 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2810 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8519 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8519 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1375 1.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1375 1.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4229 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4229 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4229 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4229 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1375 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1375 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8519 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8519 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7084 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7084 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0062 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0062 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0062 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0062 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7084 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7084 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1375 -0.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1375 -0.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7206 1.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7206 1.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4584 0.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4584 0.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5963 2.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5963 2.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7084 -0.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7084 -0.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8148 -1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8148 -1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4023 -2.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4023 -2.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3959 -2.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3959 -2.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1891 -2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1891 -2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7767 -1.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7767 -1.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0216 -1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0216 -1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3215 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3215 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8851 -1.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8851 -1.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4202 -1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4202 -1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0750 -2.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0750 -2.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9683 -2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9683 -2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5244 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5244 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5304 -2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5304 -2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0997 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0997 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8939 -1.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8939 -1.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8881 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8881 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3185 -0.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3185 -0.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3327 -1.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3327 -1.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1073 -2.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1073 -2.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9092 -2.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9092 -2.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0796 -1.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0796 -1.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3960 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3960 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0034 -0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0034 -0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1611 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1611 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6457 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6457 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3308 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3308 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7433 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7433 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5684 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5684 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9809 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9809 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5684 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5684 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7433 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7433 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5963 -0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5963 -0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0636 0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0636 0.7784 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 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 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 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 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 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 37 19 1 0 0 0 0 | + | 37 19 1 0 0 0 0 |
| − | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
| − | 29 43 1 0 0 0 0 | + | 29 43 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 49 54 1 0 0 0 0 | + | 49 54 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0116 | + | ID FL5FAAGS0116 |
| − | FORMULA C36H36O18 | + | FORMULA C36H36O18 |
| − | EXACTMASS 756.190164348 | + | EXACTMASS 756.190164348 |
| − | AVERAGEMASS 756.6602399999999 | + | AVERAGEMASS 756.6602399999999 |
| − | SMILES C(C(O)4)(OC(O5)C(C(O)C(O)C(COC(C=Cc(c6)ccc(O)c(O)6)=O)5)O)C(C)OC(C4O)OC(=C2c(c3)ccc(c3)O)C(c(c(O2)1)c(O)cc(O)c1)=O | + | SMILES C(C(O)4)(OC(O5)C(C(O)C(O)C(COC(C=Cc(c6)ccc(O)c(O)6)=O)5)O)C(C)OC(C4O)OC(=C2c(c3)ccc(c3)O)C(c(c(O2)1)c(O)cc(O)c1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
3.5665 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5665 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2810 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9955 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9955 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2810 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8519 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1375 1.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4229 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4229 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1375 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8519 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7084 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0062 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0062 0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7084 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1375 -0.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7206 1.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4584 0.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5963 2.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7084 -0.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8148 -1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4023 -2.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3959 -2.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1891 -2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7767 -1.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0216 -1.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3215 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8851 -1.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4202 -1.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0750 -2.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9683 -2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5244 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5304 -2.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0997 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8939 -1.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8881 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3185 -0.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3327 -1.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1073 -2.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9092 -2.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0796 -1.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3960 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0034 -0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1611 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6457 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3308 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7433 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5684 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9809 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5684 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7433 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5963 -0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0636 0.7784 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
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 19 1 0 0 0 0
25 41 1 0 0 0 0
29 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
49 54 1 0 0 0 0
S SKP 5
ID FL5FAAGS0116
FORMULA C36H36O18
EXACTMASS 756.190164348
AVERAGEMASS 756.6602399999999
SMILES C(C(O)4)(OC(O5)C(C(O)C(O)C(COC(C=Cc(c6)ccc(O)c(O)6)=O)5)O)C(C)OC(C4O)OC(=C2c(c3)ccc(c3)O)C(c(c(O2)1)c(O)cc(O)c1)=O
M END
