Mol:FL5FAAGS0047
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 |
| − | -2.6343 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6343 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6343 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6343 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0780 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0780 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5217 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5217 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5217 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5217 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0780 1.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0780 1.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9654 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9654 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4091 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4091 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4091 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4091 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9654 1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9654 1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9654 -0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9654 -0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2913 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2913 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8583 0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8583 0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4253 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4253 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4253 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4253 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8583 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8583 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2913 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2913 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0780 -0.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0780 -0.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2190 2.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2190 2.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1293 1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1293 1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1542 -0.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1542 -0.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9388 -1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9388 -1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5670 -1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5670 -1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3676 -0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3676 -0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5670 -0.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5670 -0.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9388 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9388 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1380 -0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1380 -0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9084 -0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9084 -0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1001 -1.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1001 -1.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4154 -2.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4154 -2.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9879 -1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9879 -1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4229 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4229 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1293 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1293 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2701 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2701 0.3781 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 |
| − | 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 |
| − | 28 32 1 0 0 0 0 | + | 28 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0047 | + | ID FL5FAAGS0047 |
| − | KNApSAcK_ID C00005860 | + | KNApSAcK_ID C00005860 |
| − | NAME Kaempferol 3-(2''-acetylrhamnoside) | + | NAME Kaempferol 3-(2''-acetylrhamnoside) |
| − | CAS_RN 135618-15-4 | + | CAS_RN 135618-15-4 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES c(C(=O)2)(c1O)c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C)C(O)C(O)3)cc(c1)O | + | SMILES c(C(=O)2)(c1O)c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C)C(O)C(O)3)cc(c1)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
-2.6343 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6343 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5217 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5217 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 1.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 -0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2913 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8583 0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4253 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4253 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8583 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2913 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0780 -0.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 2.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1293 1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1542 -0.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9388 -1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5670 -1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 -0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5670 -0.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9388 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1380 -0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9084 -0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1001 -1.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4154 -2.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9879 -1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4229 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1293 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2701 0.3781 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
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
28 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL5FAAGS0047
KNApSAcK_ID C00005860
NAME Kaempferol 3-(2''-acetylrhamnoside)
CAS_RN 135618-15-4
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES c(C(=O)2)(c1O)c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C)C(O)C(O)3)cc(c1)O
M END
