Mol:FL5FAAGS0052
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5740 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5740 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5740 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5740 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0177 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0177 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4614 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4614 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4614 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4614 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0177 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0177 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9051 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9051 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3488 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3488 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3488 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3488 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9051 1.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9051 1.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9051 -0.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9051 -0.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3517 1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3517 1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9187 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9187 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4856 1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4856 1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4856 2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4856 2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9187 2.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9187 2.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3517 2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3517 2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0177 -0.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0177 -0.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2793 2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2793 2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0690 1.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0690 1.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2145 0.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2145 0.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9991 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9991 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6273 -1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6273 -1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4280 -0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4280 -0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6273 0.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6273 0.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9991 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9991 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1984 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1984 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9687 -0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9687 -0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1605 -1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1605 -1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6273 -1.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6273 -1.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0482 -0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0482 -0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8439 -2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8439 -2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5042 -2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5042 -2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5715 -2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5715 -2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7147 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7147 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0690 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0690 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9673 -0.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9673 -0.5088 0.0000 O 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 |
| − | 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 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 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 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 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 2 0 0 0 0 | + | 32 34 2 0 0 0 0 |
| − | 28 35 1 0 0 0 0 | + | 28 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 35 37 2 0 0 0 0 | + | 35 37 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0052 | + | ID FL5FAAGS0052 |
| − | KNApSAcK_ID C00005865 | + | KNApSAcK_ID C00005865 |
| − | NAME Kaempferol 3-(2'',4''-diacetylrhamnoside) | + | NAME Kaempferol 3-(2'',4''-diacetylrhamnoside) |
| − | CAS_RN 133882-73-2 | + | CAS_RN 133882-73-2 |
| − | FORMULA C25H24O12 | + | FORMULA C25H24O12 |
| − | EXACTMASS 516.126776232 | + | EXACTMASS 516.126776232 |
| − | AVERAGEMASS 516.4508599999999 | + | AVERAGEMASS 516.4508599999999 |
| − | SMILES c(C(=O)2)(c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C(OC(C)=O)C(O)3)C)1)c(O)cc(O)c1 | + | SMILES c(C(=O)2)(c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C(OC(C)=O)C(O)3)C)1)c(O)cc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-2.5740 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5740 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0177 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4614 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4614 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0177 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9051 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3488 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3488 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9051 1.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9051 -0.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3517 1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9187 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4856 1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4856 2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9187 2.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3517 2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0177 -0.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2793 2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0690 1.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2145 0.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6273 -1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4280 -0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6273 0.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9991 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1984 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9687 -0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1605 -1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6273 -1.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0482 -0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8439 -2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 -2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5715 -2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7147 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0690 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9673 -0.5088 0.0000 O 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
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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 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
26 21 1 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
28 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 2 0 0 0 0
S SKP 8
ID FL5FAAGS0052
KNApSAcK_ID C00005865
NAME Kaempferol 3-(2'',4''-diacetylrhamnoside)
CAS_RN 133882-73-2
FORMULA C25H24O12
EXACTMASS 516.126776232
AVERAGEMASS 516.4508599999999
SMILES c(C(=O)2)(c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C(OC(C)=O)C(O)3)C)1)c(O)cc(O)c1
M END
