Mol:FL3FAACS0071
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1609 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1609 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4465 1.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4465 1.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7321 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7321 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7321 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7321 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4465 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4465 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1609 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1609 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0176 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0176 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.6969 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6969 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0176 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0176 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3679 1.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3679 1.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0176 -1.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0176 -1.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4465 -1.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4465 -1.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3207 0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3207 0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9081 -0.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9081 -0.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1097 -0.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1097 -0.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3164 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3164 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7289 0.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7289 0.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5272 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5272 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8206 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8206 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5122 0.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5122 0.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8097 0.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8097 0.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4603 -0.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4603 -0.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5525 -0.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5525 -0.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9427 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9427 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6571 0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6571 0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3716 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3716 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3716 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3716 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6571 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6571 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9427 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9427 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9867 2.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9867 2.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5018 -1.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5018 -1.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5236 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5236 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9344 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9344 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1329 -1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1329 -1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1110 -0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1110 -0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7004 -1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7004 -1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7597 -0.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7597 -0.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9867 -2.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9867 -2.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1395 -2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1395 -2.3958 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 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 15 16 1 1 0 0 0 | + | 15 16 1 1 0 0 0 |
| − | 17 16 1 1 0 0 0 | + | 17 16 1 1 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 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 |
| − | 35 34 1 1 0 0 0 | + | 35 34 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 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 35 24 1 0 0 0 0 | + | 35 24 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0071 | + | ID FL3FAACS0071 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES OC(C1O)C(O)COC1OC(C(O)5)C(OC(CO)C(O)5)c(c4O)c(O)cc(c34)OC(=CC3=O)c(c2)ccc(c2)O | + | SMILES OC(C1O)C(O)COC1OC(C(O)5)C(OC(CO)C(O)5)c(c4O)c(O)cc(c34)OC(=CC3=O)c(c2)ccc(c2)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
2.1609 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4465 1.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7321 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7321 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4465 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1609 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6969 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6969 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -0.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3679 1.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -1.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4465 -1.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3207 0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9081 -0.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1097 -0.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3164 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 0.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5272 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8206 0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5122 0.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8097 0.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4603 -0.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5525 -0.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9427 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6571 0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3716 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3716 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6571 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9427 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9867 2.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5018 -1.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5236 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9344 -1.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1329 -1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1110 -0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7004 -1.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7597 -0.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9867 -2.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1395 -2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 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 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
14 15 1 1 0 0 0
15 16 1 1 0 0 0
17 16 1 1 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
16 24 1 0 0 0 0
9 17 1 0 0 0 0
1 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 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
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 24 1 0 0 0 0
S SKP 5
ID FL3FAACS0071
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES OC(C1O)C(O)COC1OC(C(O)5)C(OC(CO)C(O)5)c(c4O)c(O)cc(c34)OC(=CC3=O)c(c2)ccc(c2)O
M END
