Mol:FLIAALNF0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3670 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3670 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3670 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3670 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8107 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8107 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2544 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2544 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2544 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2544 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8107 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8107 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6981 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6981 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1418 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1418 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1418 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1418 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6981 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6981 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4143 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4143 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4143 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4143 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0090 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0090 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6038 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6038 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6038 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6038 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0090 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0090 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6981 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6981 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9231 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9231 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9231 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9231 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8107 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8107 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9231 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9231 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4780 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4780 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4780 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4780 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0330 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0330 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0090 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0090 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2570 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2570 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6607 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6607 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2570 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2570 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3468 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3468 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6899 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6899 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6899 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6899 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0330 -0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0330 -0.1848 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 15 1 0 0 0 0 | + | 28 15 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNF0007 | + | ID FLIAALNF0007 |
| − | KNApSAcK_ID C00009921 | + | KNApSAcK_ID C00009921 |
| − | NAME Lupinisoflavone I | + | NAME Lupinisoflavone I |
| − | CAS_RN 121768-55-6 | + | CAS_RN 121768-55-6 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES c(c12)c(c(c(O)c1C(=O)C(c(c(O)3)ccc(O4)c3CC4C(C)(C)O)=CO2)CC=C(C)C)O | + | SMILES c(c12)c(c(c(O)c1C(=O)C(c(c(O)3)ccc(O4)c3CC4C(C)(C)O)=CO2)CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.3670 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3670 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8107 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2544 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2544 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8107 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6981 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1418 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1418 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6981 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4143 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4143 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6038 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6038 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6981 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9231 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9231 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8107 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9231 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4780 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4780 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0330 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2570 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6607 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2570 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3468 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6899 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6899 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0330 -0.1848 0.0000 O 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 15 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FLIAALNF0007
KNApSAcK_ID C00009921
NAME Lupinisoflavone I
CAS_RN 121768-55-6
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES c(c12)c(c(c(O)c1C(=O)C(c(c(O)3)ccc(O4)c3CC4C(C)(C)O)=CO2)CC=C(C)C)O
M END
