Mol:FL3FAAGS0057
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 |
| − | 0.0632 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0632 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0632 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0632 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7776 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7776 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4921 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4921 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4921 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4921 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7776 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7776 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2066 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2066 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9211 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9211 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9211 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9211 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2066 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2066 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6354 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6354 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3499 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3499 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0644 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0644 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0644 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0644 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3499 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3499 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6354 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6354 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2066 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2066 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7776 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7776 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6512 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6512 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8107 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8107 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9792 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9792 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2644 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2644 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6776 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6776 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8771 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8771 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5917 0.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5917 0.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1786 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1786 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0412 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0412 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2062 0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2062 0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3432 -0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3432 -0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8711 -1.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8711 -1.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8894 -0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8894 -0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3327 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3327 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3327 -0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3327 -0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1486 -0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1486 -0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3306 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3306 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7808 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7808 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6979 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6979 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1486 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1486 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7387 0.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7387 0.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8107 0.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8107 0.7482 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 |
| − | 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 |
| − | 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 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 |
| − | 21 29 1 0 0 0 0 | + | 21 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 38 32 1 1 0 0 0 | + | 38 32 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 36 38 1 1 0 0 0 | + | 36 38 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 38 34 1 0 0 0 0 | + | 38 34 1 0 0 0 0 |
| − | 39 36 1 0 0 0 0 | + | 39 36 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGS0057 | + | ID FL3FAAGS0057 |
| − | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
| − | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
| − | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
| − | SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C(O)1)OC(COC(C2O)OCC2(CO)O)C(O)C1O | + | SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C(O)1)OC(COC(C2O)OCC2(CO)O)C(O)C1O |
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
0.0632 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0632 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7776 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4921 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4921 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7776 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3499 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0644 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0644 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3499 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7776 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6512 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8107 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9792 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2644 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8771 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5917 0.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1786 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2062 0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3432 -0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8711 -1.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8894 -0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3327 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3327 -0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1486 -0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3306 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7808 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6979 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1486 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7387 0.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8107 0.7482 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
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
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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 19 1 0 0 0 0
38 32 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 1 0 0 0
32 33 1 0 0 0 0
38 34 1 0 0 0 0
39 36 1 0 0 0 0
35 40 1 0 0 0 0
37 39 1 0 0 0 0
32 35 1 0 0 0 0
28 36 1 0 0 0 0
S SKP 5
ID FL3FAAGS0057
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C(O)1)OC(COC(C2O)OCC2(CO)O)C(O)C1O
M END
