Mol:FLIA1GNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9587 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9587 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9587 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9587 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4024 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4024 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8461 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8461 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8461 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8461 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4024 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4024 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2898 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2898 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2665 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2665 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2665 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2665 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2898 0.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2898 0.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8226 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8226 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8226 -1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8226 -1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4174 -1.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4174 -1.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0122 -1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0122 -1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0122 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0122 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4174 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4174 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2898 -1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2898 -1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5148 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5148 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4024 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4024 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9585 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9585 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5148 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5148 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0691 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0691 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5148 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5148 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6654 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6654 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0691 -0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0691 -0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6654 -0.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6654 -0.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0001 -1.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0001 -1.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7145 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7145 -2.1051 0.0000 C 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 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 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 31 -5.0944 4.0341 | + | M SBV 1 31 -5.0944 4.0341 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1GNP0001 | + | ID FLIA1GNP0001 |
| − | KNApSAcK_ID C00009886 | + | KNApSAcK_ID C00009886 |
| − | NAME Isojamaicin;3'-Methoxy-4',5'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone | + | NAME Isojamaicin;3'-Methoxy-4',5'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone |
| − | CAS_RN 124596-68-5 | + | CAS_RN 124596-68-5 |
| − | FORMULA C22H18O6 | + | FORMULA C22H18O6 |
| − | EXACTMASS 378.110338308 | + | EXACTMASS 378.110338308 |
| − | AVERAGEMASS 378.37472 | + | AVERAGEMASS 378.37472 |
| − | SMILES O(C5)c(c1O5)c(cc(C(C4=O)=COc(c34)c(C=2)c(cc3)OC(C2)(C)C)c1)OC | + | SMILES O(C5)c(c1O5)c(cc(C(C4=O)=COc(c34)c(C=2)c(cc3)OC(C2)(C)C)c1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.9587 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4024 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8461 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8461 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4024 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2898 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2665 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2665 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2898 0.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8226 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8226 -1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4174 -1.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0122 -1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0122 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4174 -0.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2898 -1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5148 0.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4024 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9585 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5148 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0691 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5148 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6654 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0691 -0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6654 -0.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0001 -1.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7145 -2.1051 0.0000 C 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
1 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
13 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SBV 1 31 -5.0944 4.0341
S SKP 8
ID FLIA1GNP0001
KNApSAcK_ID C00009886
NAME Isojamaicin;3'-Methoxy-4',5'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
CAS_RN 124596-68-5
FORMULA C22H18O6
EXACTMASS 378.110338308
AVERAGEMASS 378.37472
SMILES O(C5)c(c1O5)c(cc(C(C4=O)=COc(c34)c(C=2)c(cc3)OC(C2)(C)C)c1)OC
M END
