Mol:FL5FAAGS0112
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 |
| − | 1.1286 2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1286 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 3.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 3.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 -0.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 -0.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1582 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1582 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0204 0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0204 0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1582 3.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1582 3.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2659 -1.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2659 -1.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0874 -1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0874 -1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2312 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2312 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9473 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9473 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8034 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8034 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7998 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7998 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6884 -2.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6884 -2.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3448 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3448 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0895 -1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0895 -1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3395 -2.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3395 -2.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9219 -2.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9219 -2.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4698 -3.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4698 -3.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3782 -3.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3782 -3.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3818 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3818 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7450 -2.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7450 -2.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6797 -3.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6797 -3.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 22 32 1 0 0 0 0 | + | 22 32 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 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 8 | + | S SKP 8 |
| − | ID FL5FAAGS0112 | + | ID FL5FAAGS0112 |
| − | KNApSAcK_ID C00013779 | + | KNApSAcK_ID C00013779 |
| − | NAME Kaempferol 3-(3'',4''-diacetylglucoside) | + | NAME Kaempferol 3-(3'',4''-diacetylglucoside) |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C25H24O13 | + | FORMULA C25H24O13 |
| − | EXACTMASS 532.121690854 | + | EXACTMASS 532.121690854 |
| − | AVERAGEMASS 532.45026 | + | AVERAGEMASS 532.45026 |
| − | SMILES C(C4O)(OC(CO)C(OC(C)=O)C(OC(C)=O)4)OC(=C2c(c3)ccc(c3)O)C(=O)c(c(O2)1)c(O)cc(O)c1 | + | SMILES C(C4O)(OC(CO)C(OC(C)=O)C(OC(C)=O)4)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/
38 41 0 0 0 0 0 0 0 0999 V2000
1.1286 2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 3.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 1.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -0.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 2.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 3.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2659 -1.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0874 -1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2312 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9473 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7998 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6884 -2.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3448 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0895 -1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3395 -2.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9219 -2.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4698 -3.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3782 -3.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3818 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7450 -2.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6797 -3.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
27 30 1 0 0 0 0
30 31 1 0 0 0 0
22 32 1 0 0 0 0
29 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
25 19 1 0 0 0 0
32 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
S SKP 8
ID FL5FAAGS0112
KNApSAcK_ID C00013779
NAME Kaempferol 3-(3'',4''-diacetylglucoside)
CAS_RN -
FORMULA C25H24O13
EXACTMASS 532.121690854
AVERAGEMASS 532.45026
SMILES C(C4O)(OC(CO)C(OC(C)=O)C(OC(C)=O)4)OC(=C2c(c3)ccc(c3)O)C(=O)c(c(O2)1)c(O)cc(O)c1
M END
