Mol:FL7AAGGL0045
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 |
| − | -2.3352 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3352 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3352 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3352 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6207 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6207 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9063 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9063 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9063 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9063 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6207 2.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6207 2.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1918 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1918 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5227 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5227 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5227 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5227 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1918 2.7906 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.1918 2.7906 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2991 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2991 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0136 2.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0136 2.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7281 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7281 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7281 3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7281 3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0136 4.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0136 4.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2991 3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2991 3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3682 4.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3682 4.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3811 1.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3811 1.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9151 2.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9151 2.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6207 0.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6207 0.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0136 4.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0136 4.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3931 2.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3931 2.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1952 -1.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1952 -1.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6293 -1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6293 -1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8127 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8127 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3806 0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3806 0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5561 0.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5561 0.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3726 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3726 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4311 -0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4311 -0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2543 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2543 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2981 -1.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2981 -1.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6530 -0.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6530 -0.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8890 -1.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8890 -1.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3810 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3810 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7936 -2.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7936 -2.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0001 -2.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0001 -2.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2019 -2.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2019 -2.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7892 -2.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7892 -2.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5828 -2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5828 -2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2079 -3.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2079 -3.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5368 -3.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5368 -3.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3931 -2.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3931 -2.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1155 -2.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1155 -2.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1872 -4.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1872 -4.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8932 -4.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8932 -4.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6015 -4.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6015 -4.7951 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 34 43 1 0 0 0 0 | + | 34 43 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0045 | + | ID FL7AAGGL0045 |
| − | FORMULA C29H33O17 | + | FORMULA C29H33O17 |
| − | EXACTMASS 653.1717746300001 | + | EXACTMASS 653.1717746300001 |
| − | AVERAGEMASS 653.56212 | + | AVERAGEMASS 653.56212 |
| − | SMILES C(O)(C5O)C(OC(C(O)5)COC(C4OC(C)=O)OC(C)C(O)C(O)4)Oc(c1)c(c(c3)cc(c(O)c3O)O)[o+1]c(c2)c1c(O)cc(O)2 | + | SMILES C(O)(C5O)C(OC(C(O)5)COC(C4OC(C)=O)OC(C)C(O)C(O)4)Oc(c1)c(c(c3)cc(c(O)c3O)O)[o+1]c(c2)c1c(O)cc(O)2 |
M END | M END | ||
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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
-2.3352 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3352 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6207 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9063 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9063 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6207 2.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1918 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5227 1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5227 2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1918 2.7906 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.2991 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0136 2.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0136 4.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2991 3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3682 4.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3811 1.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9151 2.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6207 0.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0136 4.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3931 2.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1952 -1.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6293 -1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8127 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3806 0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5561 0.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3726 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4311 -0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2543 -1.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2981 -1.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6530 -0.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8890 -1.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3810 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7936 -2.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0001 -2.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2019 -2.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7892 -2.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5828 -2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2079 -3.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5368 -3.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3931 -2.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -2.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1872 -4.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 -4.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6015 -4.7951 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 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
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 29 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
38 33 1 0 0 0 0
40 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0045
FORMULA C29H33O17
EXACTMASS 653.1717746300001
AVERAGEMASS 653.56212
SMILES C(O)(C5O)C(OC(C(O)5)COC(C4OC(C)=O)OC(C)C(O)C(O)4)Oc(c1)c(c(c3)cc(c(O)c3O)O)[o+1]c(c2)c1c(O)cc(O)2
M END
