Mol:FLIAAAGS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.2417 0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2417 0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6853 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6853 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1290 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1290 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4270 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4270 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4270 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4270 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0038 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5805 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5805 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5805 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5805 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0038 0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6851 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6851 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1290 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1290 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0038 -1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0038 -1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1569 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1569 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1569 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1569 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7082 -1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7082 -1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2596 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2596 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2596 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2596 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7082 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7082 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3456 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3456 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9993 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9993 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5007 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5007 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9811 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9811 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3692 0.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3692 0.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8785 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8785 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7327 0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7327 0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5391 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5391 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2150 -0.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2150 -0.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1174 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1174 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7327 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7327 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1290 -1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1290 -1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1140 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1140 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5653 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5653 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9880 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9880 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5653 1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5653 1.9256 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 |
| − | 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 29 16 1 0 0 0 0 | + | 29 16 1 0 0 0 0 |
| − | 11 30 1 0 0 0 0 | + | 11 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 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 FLIAAAGS0002 | + | ID FLIAAAGS0002 |
| − | KNApSAcK_ID C00010104 | + | KNApSAcK_ID C00010104 |
| − | NAME Genistin 6''-O-acetate | + | NAME Genistin 6''-O-acetate |
| − | CAS_RN 73566-30-0 | + | CAS_RN 73566-30-0 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES c(c1C(=C4)C(c(c(O4)3)c(cc(c3)OC(C(O)2)OC(COC(C)=O)C(C2O)O)O)=O)cc(cc1)O | + | SMILES c(c1C(=C4)C(c(c(O4)3)c(cc(c3)OC(C(O)2)OC(COC(C)=O)C(C2O)O)O)=O)cc(cc1)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
-1.2417 0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6853 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1290 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4270 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4270 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0038 -0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5805 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5805 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0038 0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6851 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1290 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0038 -1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1569 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1569 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7082 -1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2596 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2596 -0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7082 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3456 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9993 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9811 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3692 0.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8785 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7327 0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5391 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2150 -0.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1174 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7327 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1290 -1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1140 1.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5653 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9880 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5653 1.9256 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
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
24 28 1 0 0 0 0
22 1 1 0 0 0 0
29 16 1 0 0 0 0
11 30 1 0 0 0 0
28 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
S SKP 8
ID FLIAAAGS0002
KNApSAcK_ID C00010104
NAME Genistin 6''-O-acetate
CAS_RN 73566-30-0
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES c(c1C(=C4)C(c(c(O4)3)c(cc(c3)OC(C(O)2)OC(COC(C)=O)C(C2O)O)O)=O)cc(cc1)O
M END
