Mol:FL5FAAGS0049
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 |
| − | -2.3792 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3792 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3792 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3792 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8229 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8229 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2666 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2666 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2666 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2666 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8229 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8229 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7103 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7103 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1540 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1540 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1540 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1540 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7103 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7103 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7103 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7103 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5464 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5464 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1134 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1134 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6804 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6804 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6804 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6804 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1134 2.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1134 2.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5464 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5464 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8229 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8229 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4741 2.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4741 2.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8742 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8742 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4093 0.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4093 0.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1938 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1938 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8221 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8221 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6227 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6227 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8221 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8221 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1938 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1938 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3931 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3931 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1635 -0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1635 -0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3552 -1.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3552 -1.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8221 -1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8221 -1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2430 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2430 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3438 -2.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3438 -2.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8742 -1.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8742 -1.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3438 -2.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3438 -2.6783 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0049 | + | ID FL5FAAGS0049 |
| − | KNApSAcK_ID C00005862 | + | KNApSAcK_ID C00005862 |
| − | NAME Kaempferol 3-(4''-acetylrhamnoside) | + | NAME Kaempferol 3-(4''-acetylrhamnoside) |
| − | CAS_RN 135618-17-6 | + | CAS_RN 135618-17-6 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES C(=O)(C(OC(C(O)4)OC(C(OC(C)=O)C(O)4)C)=2)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O | + | SMILES C(=O)(C(OC(C(O)4)OC(C(OC(C)=O)C(O)4)C)=2)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O |
M END | M END | ||
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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
-2.3792 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3792 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8229 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2666 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2666 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8229 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7103 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7103 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7103 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5464 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1134 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6804 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6804 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1134 2.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5464 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8229 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4741 2.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8742 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4093 0.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1938 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8221 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6227 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8221 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1938 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3931 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 -0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3552 -1.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8221 -1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2430 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 -2.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 -1.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 -2.6783 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
S SKP 8
ID FL5FAAGS0049
KNApSAcK_ID C00005862
NAME Kaempferol 3-(4''-acetylrhamnoside)
CAS_RN 135618-17-6
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES C(=O)(C(OC(C(O)4)OC(C(OC(C)=O)C(O)4)C)=2)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O
M END
