Mol:FL3FECGS0042
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 |
| − | 2.3274 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3274 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3274 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3274 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0419 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0419 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7563 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7563 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7563 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7563 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0419 2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0419 2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6129 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6129 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8985 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8985 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1840 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1840 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1840 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1840 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8985 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8985 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6129 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6129 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5304 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5304 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2450 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2450 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2450 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2450 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5304 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5304 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8985 -1.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8985 -1.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9594 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9594 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5304 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5304 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4619 2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4619 2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4208 0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4208 0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4759 -1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4759 -1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8884 -1.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8884 -1.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0952 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0952 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2971 -1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2971 -1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8845 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8845 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6778 -1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6778 -1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3224 -2.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3224 -2.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5905 -2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5905 -2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4619 -1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4619 -1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3339 -1.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3339 -1.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8980 -0.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8980 -0.2620 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 |
| − | 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0042 | + | ID FL3FECGS0042 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(O)C(O)C(C)4)OC1c(c2)cc(c(O)c2)O | + | SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(O)C(O)C(C)4)OC1c(c2)cc(c(O)c2)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
2.3274 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3274 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0419 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7563 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7563 2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0419 2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6129 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8985 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1840 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1840 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8985 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6129 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2450 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2450 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8985 -1.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9594 1.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 -0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4619 2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4208 0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4759 -1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8884 -1.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0952 -1.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2971 -1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8845 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6778 -1.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3224 -2.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5905 -2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4619 -1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3339 -1.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8980 -0.2620 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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
15 32 1 0 0 0 0
26 32 1 0 0 0 0
S SKP 5
ID FL3FECGS0042
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(O)C(O)C(C)4)OC1c(c2)cc(c(O)c2)O
M END
