Mol:FL3FECGS0051
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 |
| − | 1.2627 2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2627 2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2627 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2627 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9772 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9772 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6917 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6917 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6917 2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6917 2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9772 2.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9772 2.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5483 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5483 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1662 1.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1662 1.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8807 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8807 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8807 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8807 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1662 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1662 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5483 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5483 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5952 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5952 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3096 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3096 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3096 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3096 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5952 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5952 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1662 -0.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1662 -0.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0241 1.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0241 1.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5952 -0.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5952 -0.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3972 2.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3972 2.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3561 1.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3561 1.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9627 0.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9627 0.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0705 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0705 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6638 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6638 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1257 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1257 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5382 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5382 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7449 -1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7449 -1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9469 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9469 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5343 -1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5343 -1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3276 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3276 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9309 -2.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9309 -2.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3435 -2.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3435 -2.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0705 -2.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0705 -2.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9012 -1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9012 -1.5835 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 |
| − | 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 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 25 34 1 0 0 0 0 | + | 25 34 1 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FECGS0051 | + | ID FL3FECGS0051 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES COc(c4O)c(c(c3c4)C(C=C(O3)c(c2)cc(c(c2)O)OC)=O)OC(O1)C(O)C(C(O)C(C)1)O | + | SMILES COc(c4O)c(c(c3c4)C(C=C(O3)c(c2)cc(c(c2)O)OC)=O)OC(O1)C(O)C(C(O)C(C)1)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
1.2627 2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2627 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9772 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6917 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6917 2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9772 2.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5483 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1662 1.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8807 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8807 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1662 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5483 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3096 1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3096 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1662 -0.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0241 1.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5952 -0.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3972 2.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3561 1.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9627 0.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0705 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6638 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1257 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5382 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7449 -1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9469 -2.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5343 -1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3276 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9309 -2.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3435 -2.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0705 -2.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9012 -1.5835 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
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
15 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
26 33 1 0 0 0 0
25 34 1 0 0 0 0
29 19 1 0 0 0 0
S SKP 5
ID FL3FECGS0051
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES COc(c4O)c(c(c3c4)C(C=C(O3)c(c2)cc(c(c2)O)OC)=O)OC(O1)C(O)C(C(O)C(C)1)O
M END
