Mol:FL1A1AGM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3218 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3218 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3218 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3218 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0362 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0362 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7506 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7506 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7506 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7506 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0362 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0362 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4627 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4627 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9477 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9477 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4627 0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4627 0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4552 0.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4552 0.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5556 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5556 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7716 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7716 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1848 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1848 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0113 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0113 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4244 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4244 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0113 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0113 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1848 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1848 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2494 -0.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2494 -0.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6613 -1.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6613 -1.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6879 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6879 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8452 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8452 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6549 -0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6549 -0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2391 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2391 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9620 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9620 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1523 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1523 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2494 0.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2494 0.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6901 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6901 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9273 -0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9273 -0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9239 -1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9239 -1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0362 1.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0362 1.5293 0.0000 C 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 20 1 1 0 0 0 | + | 25 20 1 1 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 10 21 1 0 0 0 0 | + | 10 21 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL1A1AGM0001 | + | ID FL1A1AGM0001 |
| − | FORMULA C22H22O8 | + | FORMULA C22H22O8 |
| − | EXACTMASS 414.13146768 | + | EXACTMASS 414.13146768 |
| − | AVERAGEMASS 414.40528000000006 | + | AVERAGEMASS 414.40528000000006 |
| − | SMILES c(c31)(C)c(OC(O4)C(C(C(O)C4C)O)O)ccc(c(c(o3)=Cc(c2)ccc(c2)O)=O)1 | + | SMILES c(c31)(C)c(OC(O4)C(C(C(O)C4C)O)O)ccc(c(c(o3)=Cc(c2)ccc(c2)O)=O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.3218 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3218 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0362 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7506 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7506 -0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0362 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4627 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9477 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4627 0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4552 0.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7716 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1848 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0113 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4244 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0113 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1848 0.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2494 -0.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6613 -1.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6879 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8452 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6549 -0.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2391 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9620 0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1523 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2494 0.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6901 0.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9273 -0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9239 -1.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0362 1.5293 0.0000 C 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
25 28 1 0 0 0 0
20 29 1 0 0 0 0
10 21 1 0 0 0 0
3 30 1 0 0 0 0
S SKP 5
ID FL1A1AGM0001
FORMULA C22H22O8
EXACTMASS 414.13146768
AVERAGEMASS 414.40528000000006
SMILES c(c31)(C)c(OC(O4)C(C(C(O)C4C)O)O)ccc(c(c(o3)=Cc(c2)ccc(c2)O)=O)1
M END
