Mol:FL3FAAGS0041
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 |
| − | -0.1776 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1776 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1776 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1776 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3787 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3787 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9350 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9350 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9350 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9350 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3787 0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3787 0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4913 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4913 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0476 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0476 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0476 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0476 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4913 0.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4913 0.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4913 -1.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4913 -1.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6037 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6037 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1707 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1707 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7377 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7377 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7377 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7377 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1707 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1707 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6037 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6037 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7337 0.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7337 0.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3045 1.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3045 1.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3787 -1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3787 -1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2731 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2731 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8385 -0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8385 -0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2125 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2125 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5260 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5260 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0474 0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0474 0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6868 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6868 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1615 -0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1615 -0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5161 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5161 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8539 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8539 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0768 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0768 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4002 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4002 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8304 1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8304 1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3045 0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3045 0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8304 1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8304 1.6710 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 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 FL3FAAGS0041 | + | ID FL3FAAGS0041 |
| − | KNApSAcK_ID C00004177 | + | KNApSAcK_ID C00004177 |
| − | NAME Apigenin 7-(6''-acetylglucoside) | + | NAME Apigenin 7-(6''-acetylglucoside) |
| − | CAS_RN 72741-92-5 | + | CAS_RN 72741-92-5 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)OC(COC(C)=O)C1O | + | SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)OC(COC(C)=O)C1O |
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
-0.1776 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1776 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9350 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9350 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4913 -1.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0476 -0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0476 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4913 0.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4913 -1.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6037 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1707 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7377 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7377 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1707 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6037 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 0.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3045 1.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 -1.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2731 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8385 -0.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2125 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5260 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0474 0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6868 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1615 -0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5161 -0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8539 -0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0768 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4002 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8304 1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3045 0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8304 1.6710 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
3 4 1 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
24 18 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL3FAAGS0041
KNApSAcK_ID C00004177
NAME Apigenin 7-(6''-acetylglucoside)
CAS_RN 72741-92-5
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)OC(COC(C)=O)C1O
M END
