Mol:FL5FDAGS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8502 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8502 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8502 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8502 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5647 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5647 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2791 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2791 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2791 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2791 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5647 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5647 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1357 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1357 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4213 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4213 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7068 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7068 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7068 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7068 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4213 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4213 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1357 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1357 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0077 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0077 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7221 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7221 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7221 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7221 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0077 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0077 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4213 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4213 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4366 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4366 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8134 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8134 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8799 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8799 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0077 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0077 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5145 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5145 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2354 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2354 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8228 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8228 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0244 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0244 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2309 0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2309 0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6435 0.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6435 0.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4419 0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4419 0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7475 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7475 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8799 0.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8799 0.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5386 0.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5386 0.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4873 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4873 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2521 1.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2521 1.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3048 1.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3048 1.2988 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 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 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 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 29 33 2 0 0 0 0 | + | 29 33 2 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FDAGS0005 | + | ID FL5FDAGS0005 |
| − | FORMULA C22H20O12 | + | FORMULA C22H20O12 |
| − | EXACTMASS 476.095476104 | + | EXACTMASS 476.095476104 |
| − | AVERAGEMASS 476.387 | + | AVERAGEMASS 476.387 |
| − | SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(c4)O)3)OC)=O)c(O)cc1OC(O2)C(O)C(C(O)C2C(O)=O)O | + | SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(c4)O)3)OC)=O)c(O)cc1OC(O2)C(O)C(C(O)C2C(O)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
2.8502 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8502 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5647 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2791 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2791 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5647 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1357 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4213 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7068 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7068 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4213 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1357 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0077 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7221 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7221 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0077 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4213 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4366 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8134 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8799 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0077 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5145 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2354 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8228 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0244 0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2309 0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6435 0.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4419 0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7475 1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8799 0.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5386 0.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4873 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2521 1.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3048 1.2988 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
19 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
29 33 2 0 0 0 0
29 34 1 0 0 0 0
26 18 1 0 0 0 0
S SKP 5
ID FL5FDAGS0005
FORMULA C22H20O12
EXACTMASS 476.095476104
AVERAGEMASS 476.387
SMILES c(c1)(O3)c(C(C(=C(c(c4)ccc(c4)O)3)OC)=O)c(O)cc1OC(O2)C(O)C(C(O)C2C(O)=O)O
M END
