Mol:FL3FACCS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5454 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5454 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5454 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5454 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8495 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8495 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1536 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1536 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1536 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1536 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8495 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8495 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2381 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2381 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2381 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2381 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 -0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 -0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 -2.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 -2.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8495 -2.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8495 -2.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0885 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0885 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8219 -0.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8219 -0.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5552 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5552 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5552 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5552 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8219 0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8219 0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0885 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0885 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2879 0.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2879 0.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1496 -0.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1496 -0.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5227 0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5227 0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8122 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8122 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0377 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0377 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8122 1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8122 1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5227 2.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5227 2.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2973 1.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2973 1.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3256 2.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3256 2.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8122 2.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8122 2.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8819 1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8819 1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4533 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4533 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6601 1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6601 1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4477 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4477 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2879 1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2879 1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4477 2.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4477 2.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8219 1.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8219 1.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2730 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2730 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9005 0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9005 0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2730 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2730 1.8642 0.0000 C 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 17 35 1 0 0 0 0 | + | 17 35 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0011 | + | ID FL3FACCS0011 |
| − | FORMULA C25H24O13 | + | FORMULA C25H24O13 |
| − | EXACTMASS 532.121690854 | + | EXACTMASS 532.121690854 |
| − | AVERAGEMASS 532.45026 | + | AVERAGEMASS 532.45026 |
| − | SMILES c(c21)(O)cc(c(C(O4)C(C(C(O)C4COC(C)=O)O)OC(C)=O)c1OC(c(c3)cc(c(c3)O)O)=CC2=O)O | + | SMILES c(c21)(O)cc(c(C(O4)C(C(C(O)C4COC(C)=O)O)OC(C)=O)c1OC(c(c3)cc(c(c3)O)O)=CC2=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-1.5454 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5454 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8495 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1536 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1536 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8495 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2381 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2381 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 -0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 -2.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8495 -2.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0885 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8219 -0.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5552 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5552 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8219 0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0885 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2879 0.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1496 -0.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5227 0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8122 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0377 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8122 1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5227 2.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2973 1.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3256 2.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8122 2.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8819 1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4533 0.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6601 1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4477 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2879 1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4477 2.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8219 1.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2730 0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9005 0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2730 1.8642 0.0000 C 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
7 11 2 0 0 0 0
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
1 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
23 30 1 0 0 0 0
22 6 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
17 35 1 0 0 0 0
30 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
S SKP 5
ID FL3FACCS0011
FORMULA C25H24O13
EXACTMASS 532.121690854
AVERAGEMASS 532.45026
SMILES c(c21)(O)cc(c(C(O4)C(C(C(O)C4COC(C)=O)O)OC(C)=O)c1OC(c(c3)cc(c(c3)O)O)=CC2=O)O
M END
