Mol:FL5FAAGS0053
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 |
| − | -2.4495 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4495 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4495 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4495 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8932 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8932 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3369 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3369 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3369 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3369 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8932 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8932 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7806 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7806 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2243 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2243 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2243 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2243 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7806 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7806 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7806 -0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7806 -0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4761 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4761 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0431 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0431 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6101 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6101 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6101 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6101 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0431 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0431 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4761 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4761 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8932 -0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8932 -0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4038 2.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4038 2.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9445 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9445 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3390 0.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3390 0.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1236 -0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1236 -0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7518 -1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7518 -1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5524 -0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5524 -0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7518 0.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7518 0.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1236 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1236 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3228 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3228 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0932 -0.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0932 -0.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2849 -1.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2849 -1.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7518 -1.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7518 -1.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1727 -0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1727 -0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9444 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9444 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0696 -2.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0696 -2.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2148 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2148 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3662 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3662 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9445 -1.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9445 -1.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3662 -2.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3662 -2.7198 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 |
| − | 29 32 1 0 0 0 0 | + | 29 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 |
| − | 30 35 1 0 0 0 0 | + | 30 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 FL5FAAGS0053 | + | ID FL5FAAGS0053 |
| − | KNApSAcK_ID C00005866 | + | KNApSAcK_ID C00005866 |
| − | NAME Kaempferol 3-(3'',4''-diacetylrhamnoside) | + | NAME Kaempferol 3-(3'',4''-diacetylrhamnoside) |
| − | CAS_RN 77307-50-7 | + | CAS_RN 77307-50-7 |
| − | FORMULA C25H24O12 | + | FORMULA C25H24O12 |
| − | EXACTMASS 516.126776232 | + | EXACTMASS 516.126776232 |
| − | AVERAGEMASS 516.4508599999999 | + | AVERAGEMASS 516.4508599999999 |
| − | SMILES CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(=C2c(c3)ccc(c3)O)C(=O)c(c(O2)1)c(O)cc(O)c1 | + | SMILES CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(=C2c(c3)ccc(c3)O)C(=O)c(c(O2)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
-2.4495 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4495 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3369 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3369 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 -0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0431 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6101 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6101 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0431 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 -0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4038 2.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9445 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3390 0.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1236 -0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7518 -1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5524 -0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7518 0.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1236 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3228 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0932 -0.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2849 -1.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7518 -1.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 -0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9444 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0696 -2.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2148 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 -1.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3662 -2.7198 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
29 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
30 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 2 0 0 0 0
S SKP 8
ID FL5FAAGS0053
KNApSAcK_ID C00005866
NAME Kaempferol 3-(3'',4''-diacetylrhamnoside)
CAS_RN 77307-50-7
FORMULA C25H24O12
EXACTMASS 516.126776232
AVERAGEMASS 516.4508599999999
SMILES CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(=C2c(c3)ccc(c3)O)C(=O)c(c(O2)1)c(O)cc(O)c1
M END
