Mol:FLIG1LNI0002
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 |
| − | -2.8946 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8946 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8946 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8946 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3383 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3383 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7820 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7820 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7820 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7820 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3383 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3383 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2257 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2257 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6694 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6694 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2257 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2257 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1133 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1133 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1133 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1133 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4815 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4815 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0763 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0763 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0763 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0763 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4815 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4815 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6694 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6694 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6705 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6705 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4507 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4507 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3383 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3383 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4673 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4673 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2257 -0.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2257 -0.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6705 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6705 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2647 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2647 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8577 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8577 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8577 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8577 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4507 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4507 -0.1272 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 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 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 FLIG1LNI0002 | + | ID FLIG1LNI0002 |
| − | KNApSAcK_ID C00010064 | + | KNApSAcK_ID C00010064 |
| − | NAME Lupinalbin D | + | NAME Lupinalbin D |
| − | CAS_RN 98094-85-0 | + | CAS_RN 98094-85-0 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES O(c42)c(c1)c(C(c2c(c(o4)3)ccc(O)c(CC=C(C)C)3)=O)c(cc(O)1)O | + | SMILES O(c42)c(c1)c(C(c2c(c(o4)3)ccc(O)c(CC=C(C)C)3)=O)c(cc(O)1)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
-2.8946 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8946 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3383 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7820 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7820 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3383 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2257 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6694 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2257 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1133 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1133 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4815 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0763 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0763 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4815 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6694 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6705 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4507 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3383 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4673 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2257 -0.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6705 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2647 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4507 -0.1272 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
13 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
20 15 1 0 0 0 0
7 21 2 0 0 0 0
14 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 FLIG1LNI0002
KNApSAcK_ID C00010064
NAME Lupinalbin D
CAS_RN 98094-85-0
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES O(c42)c(c1)c(C(c2c(c(o4)3)ccc(O)c(CC=C(C)C)3)=O)c(cc(O)1)O
M END
