Mol:FL5FAAGS0070
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1427 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1427 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1427 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1427 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8571 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8571 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5716 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5716 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5716 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5716 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8571 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8571 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4282 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4282 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7137 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7137 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0008 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0008 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0008 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0008 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7137 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7137 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4282 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4282 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7152 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7152 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4297 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4297 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4297 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4297 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7152 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7152 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7137 -1.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7137 -1.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1442 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1442 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0345 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0345 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1723 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1723 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7152 -1.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7152 -1.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4594 -0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4594 -0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0469 -1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0469 -1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2488 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2488 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4556 -1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4556 -1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8680 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8680 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6662 -1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6662 -1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0326 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0326 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1723 -1.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1723 -1.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6829 -1.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6829 -1.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7036 -2.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7036 -2.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6000 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6000 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6955 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6955 -0.5670 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 28 32 2 0 0 0 0 | + | 28 32 2 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0070 | + | ID FL5FAAGS0070 |
| − | FORMULA C21H18O12 | + | FORMULA C21H18O12 |
| − | EXACTMASS 462.07982604 | + | EXACTMASS 462.07982604 |
| − | AVERAGEMASS 462.36042 | + | AVERAGEMASS 462.36042 |
| − | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)cc(O)cc1OC(=C(C3=O)O)c(c2)ccc(O)c2)O)O | + | SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)cc(O)cc1OC(=C(C3=O)O)c(c2)ccc(O)c2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
2.1427 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8571 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5716 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5716 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8571 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4282 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7137 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0008 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0008 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7137 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4282 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7152 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7152 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7137 -1.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0345 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1723 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7152 -1.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4594 -0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0469 -1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2488 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4556 -1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8680 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6662 -1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0326 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1723 -1.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6829 -1.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7036 -2.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6000 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6955 -0.5670 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 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
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 2 0 0 0 0
28 33 1 0 0 0 0
25 21 1 0 0 0 0
S SKP 5
ID FL5FAAGS0070
FORMULA C21H18O12
EXACTMASS 462.07982604
AVERAGEMASS 462.36042
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)cc(O)cc1OC(=C(C3=O)O)c(c2)ccc(O)c2)O)O
M END
