Mol:FLIG1LNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4525 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4525 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4525 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4525 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8962 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8962 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3399 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3399 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3399 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3399 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8962 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8962 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2164 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2164 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7727 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7727 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2164 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2164 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3288 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3288 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3288 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3288 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9236 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9236 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5183 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5183 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5183 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5183 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9236 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9236 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7727 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7727 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0086 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0086 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8962 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8962 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9300 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9300 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2164 -0.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2164 -0.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1173 -0.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1173 -0.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0086 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0086 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0086 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0086 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5635 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5635 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5635 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5635 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1173 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1173 -0.4835 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 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 8 16 2 0 0 0 0 | + | 8 16 2 0 0 0 0 |
| − | 16 9 1 0 0 0 0 | + | 16 9 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIG1LNI0003 | + | ID FLIG1LNI0003 |
| − | KNApSAcK_ID C00010066 | + | KNApSAcK_ID C00010066 |
| − | NAME Lupinalbin B | + | NAME Lupinalbin B |
| − | CAS_RN 98113-96-3 | + | CAS_RN 98113-96-3 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES o(c43)c(O1)c(c(ccc(O)c4)3)C(c(c2O)c1cc(c(CC=C(C)C)2)O)=O | + | SMILES o(c43)c(O1)c(c(ccc(O)c4)3)C(c(c2O)c1cc(c(CC=C(C)C)2)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.4525 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4525 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7727 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3288 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3288 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9236 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5183 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5183 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9236 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7727 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0086 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9300 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 -0.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1173 -0.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0086 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0086 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1173 -0.4835 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
9 5 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
8 16 2 0 0 0 0
16 9 1 0 0 0 0
1 17 1 0 0 0 0
3 18 1 0 0 0 0
16 19 1 0 0 0 0
19 15 1 0 0 0 0
7 20 2 0 0 0 0
13 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FLIG1LNI0003
KNApSAcK_ID C00010066
NAME Lupinalbin B
CAS_RN 98113-96-3
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES o(c43)c(O1)c(c(ccc(O)c4)3)C(c(c2O)c1cc(c(CC=C(C)C)2)O)=O
M END
