Mol:FLIABANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2208 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3355 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8845 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8845 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1700 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1700 -0.7004 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 22 -6.3554 3.0888 | + | M SBV 1 22 -6.3554 3.0888 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIABANS0001 | + | ID FLIABANS0001 |
| − | KNApSAcK_ID C00009452 | + | KNApSAcK_ID C00009452 |
| − | NAME 5-O-Methylgenistein | + | NAME 5-O-Methylgenistein |
| − | CAS_RN 4569-98-6 | + | CAS_RN 4569-98-6 |
| − | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
| − | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
| − | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
| − | SMILES COc(c3)c(c2cc(O)3)C(=O)C(=CO2)c(c1)ccc(O)c1 | + | SMILES COc(c3)c(c2cc(O)3)C(=O)C(=CO2)c(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0044 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8918 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4481 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3355 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5607 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8845 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1700 -0.7004 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -6.3554 3.0888
S SKP 8
ID FLIABANS0001
KNApSAcK_ID C00009452
NAME 5-O-Methylgenistein
CAS_RN 4569-98-6
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)c(c2cc(O)3)C(=O)C(=CO2)c(c1)ccc(O)c1
M END
