Mol:FL5FADGSS002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 48 52 0 0 0 0 0 0 0 0999 V2000 | + | 48 52 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.2731 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2731 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5586 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5586 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2731 2.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2731 2.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9875 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9875 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9875 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9875 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8441 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8441 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1296 1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1296 1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5847 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5847 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5847 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5847 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1296 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1296 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8441 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8441 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2992 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2992 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0137 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0137 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0137 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0137 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2992 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2992 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1296 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1296 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7281 1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7281 1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5586 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2992 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2992 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7019 2.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7019 2.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2731 3.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2731 3.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0048 4.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0048 4.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4517 -2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4517 -2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3667 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3667 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6862 -1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6862 -1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3490 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3490 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5307 -0.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5307 -0.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2110 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2110 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6662 -1.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6662 -1.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7631 -2.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7631 -2.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -2.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -2.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4618 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4618 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1216 -2.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1216 -2.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7152 -2.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7152 -2.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3416 -2.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3416 -2.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5178 -2.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5178 -2.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8342 -3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8342 -3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2077 -2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2077 -2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0316 -2.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0316 -2.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7019 -2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7019 -2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4489 -2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4489 -2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2536 -3.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2536 -3.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9782 -3.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9782 -3.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7574 -3.4621 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7574 -3.4621 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7516 -4.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7516 -4.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1755 -3.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1755 -3.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3151 -3.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3151 -3.4673 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 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 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 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 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 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 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 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 38 44 1 0 0 0 0 | + | 38 44 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 31 45 1 0 0 0 0 | + | 31 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 45 47 2 0 0 0 0 | + | 45 47 2 0 0 0 0 |
| − | 45 48 2 0 0 0 0 | + | 45 48 2 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FADGSS002 | + | ID FL5FADGSS002 |
| − | FORMULA C28H32O19S | + | FORMULA C28H32O19S |
| − | EXACTMASS 704.125849532 | + | EXACTMASS 704.125849532 |
| − | AVERAGEMASS 704.60828 | + | AVERAGEMASS 704.60828 |
| − | SMILES OC(C(OS(O)(=O)=O)1)C(O)C(OC(=C(c(c5)ccc(c5OC)O)3)C(c(c4O)c(cc(O)c4)O3)=O)OC1COC(C(O)2)OC(C(O)C2O)C | + | SMILES OC(C(OS(O)(=O)=O)1)C(O)C(OC(=C(c(c5)ccc(c5OC)O)3)C(c(c4O)c(cc(O)c4)O3)=O)OC1COC(C(O)2)OC(C(O)C2O)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
2.2731 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5586 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5586 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2731 2.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9875 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9875 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8441 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1296 1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5847 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5847 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1296 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8441 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1296 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7281 1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5586 -0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7019 2.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2731 3.6666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0048 4.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4517 -2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3667 -2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6862 -1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3490 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5307 -0.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2110 -1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6662 -1.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 -2.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -2.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4618 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1216 -2.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7152 -2.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3416 -2.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5178 -2.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8342 -3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0316 -2.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7019 -2.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4489 -2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2536 -3.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9782 -3.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7574 -3.4621 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.7516 -4.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1755 -3.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3151 -3.4673 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
26 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
37 43 1 0 0 0 0
38 44 1 0 0 0 0
34 39 1 0 0 0 0
31 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 2 0 0 0 0
45 48 2 0 0 0 0
27 19 1 0 0 0 0
S SKP 5
ID FL5FADGSS002
FORMULA C28H32O19S
EXACTMASS 704.125849532
AVERAGEMASS 704.60828
SMILES OC(C(OS(O)(=O)=O)1)C(O)C(OC(=C(c(c5)ccc(c5OC)O)3)C(c(c4O)c(cc(O)c4)O3)=O)OC1COC(C(O)2)OC(C(O)C2O)C
M END
