Mol:FL3FE9GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1746 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1746 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1746 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1746 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5242 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5242 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2231 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2231 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2231 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2231 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5242 0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5242 0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9219 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9219 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6208 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6208 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6208 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6208 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9219 0.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9219 0.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3191 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3191 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0596 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0596 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8003 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8003 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8003 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8003 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0596 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0596 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3191 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3191 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5242 -1.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5242 -1.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8730 0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8730 0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9219 -1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9219 -1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2398 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2398 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5341 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5341 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6669 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6669 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6689 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6689 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3746 0.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3746 0.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2419 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2419 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8277 -0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8277 -0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8003 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8003 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2699 -0.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2699 -0.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7690 0.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7690 0.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3743 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3743 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4135 0.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4135 0.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8730 -1.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8730 -1.0447 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 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 |
| − | 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FE9GS0001 | + | ID FL3FE9GS0001 |
| − | FORMULA C21H18O11 | + | FORMULA C21H18O11 |
| − | EXACTMASS 446.084911418 | + | EXACTMASS 446.084911418 |
| − | AVERAGEMASS 446.36102 | + | AVERAGEMASS 446.36102 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)c1O)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)c1O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.1746 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1746 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5242 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2231 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2231 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5242 0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9219 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6208 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6208 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9219 0.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3191 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0596 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8003 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8003 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0596 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3191 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5242 -1.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8730 0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9219 -1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2398 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5341 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6669 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6689 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3746 0.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2419 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8277 -0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8003 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2699 -0.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7690 0.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3743 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4135 0.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8730 -1.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
23 18 1 0 0 0 0
22 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 2 0 0 0 0
2 32 1 0 0 0 0
S SKP 5
ID FL3FE9GS0001
FORMULA C21H18O11
EXACTMASS 446.084911418
AVERAGEMASS 446.36102
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)c1O)O)O
M END
