Mol:FL3FABGS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.3244 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3244 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3244 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3244 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0389 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0389 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7534 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7534 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7534 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7534 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0389 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0389 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4678 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4678 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1823 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1823 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1823 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1823 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4678 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4678 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8968 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8968 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6112 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6112 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3257 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3257 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3257 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3257 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6112 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6112 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8968 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8968 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4678 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4678 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0389 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0389 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0720 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0720 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3491 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3491 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7133 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7133 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9670 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9670 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5543 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5543 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7560 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7560 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9625 0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9625 0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3751 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3751 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1735 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1735 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3332 -0.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3332 -0.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1542 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1542 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6079 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6079 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.2241 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2241 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8115 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8115 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0132 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0132 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2197 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2197 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6322 0.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6322 0.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4306 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4306 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8148 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8148 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.4048 1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4048 1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.7133 0.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.7133 0.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.3717 0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3717 0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5527 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5527 -0.0194 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 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 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 31 39 1 0 0 0 0 | + | 31 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 30 1 0 0 0 0 | + | 34 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FABGS0017 | + | ID FL3FABGS0017 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES c(c5OC)cc(cc5)C(O4)=CC(c(c41)c(O)cc(OC(C(O)3)OCC(C3O)OC(O2)C(C(C(C2CO)O)O)O)c1)=O | + | SMILES c(c5OC)cc(cc5)C(O4)=CC(c(c41)c(O)cc(OC(C(O)3)OCC(C3O)OC(O2)C(C(C(C2CO)O)O)O)c1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
0.3244 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3244 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0389 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7534 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7534 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0389 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4678 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1823 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1823 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4678 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6112 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3257 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3257 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6112 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4678 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0389 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0720 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3491 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7133 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9670 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5543 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7560 0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9625 0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3751 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1735 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3332 -0.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1542 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6079 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2241 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8115 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0132 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2197 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6322 0.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4306 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8148 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4048 1.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7133 0.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3717 0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5527 -0.0194 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
14 19 1 0 0 0 0
20 1 1 0 0 0 0
19 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
24 28 1 0 0 0 0
23 29 1 0 0 0 0
22 30 1 0 0 0 0
25 20 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
31 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 30 1 0 0 0 0
S SKP 5
ID FL3FABGS0017
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c5OC)cc(cc5)C(O4)=CC(c(c41)c(O)cc(OC(C(O)3)OCC(C3O)OC(O2)C(C(C(C2CO)O)O)O)c1)=O
M END
