Mol:FLIG1LNI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3415 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3415 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3415 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3415 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7852 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7852 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2289 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2289 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2289 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2289 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7852 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7852 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6726 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6726 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1163 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1163 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1163 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1163 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6726 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6726 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4398 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4398 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4398 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4398 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0346 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0346 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6294 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6294 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6294 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6294 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0346 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0346 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6709 -0.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6709 -0.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2859 -0.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2859 -0.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0410 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0410 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7852 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7852 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8976 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8976 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8976 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8976 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8976 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8976 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4525 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4525 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4525 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4525 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0062 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0062 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2236 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2236 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8178 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8178 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4120 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4120 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4120 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4120 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0062 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0062 0.1579 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 19 16 1 0 0 0 0 | + | 19 16 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 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 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIG1LNI0004 | + | ID FLIG1LNI0004 |
| − | KNApSAcK_ID C00010068 | + | KNApSAcK_ID C00010068 |
| − | NAME Lupinalbin F | + | NAME Lupinalbin F |
| − | CAS_RN 121747-93-1 | + | CAS_RN 121747-93-1 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES c(c4CC=C(C)C)(cc(c3c4O)Oc(o2)c(C3=O)c(c21)ccc(O)c1CC=C(C)C)O | + | SMILES c(c4CC=C(C)C)(cc(c3c4O)Oc(o2)c(C3=O)c(c21)ccc(O)c1CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.3415 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3415 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7852 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2289 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2289 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7852 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6726 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1163 0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1163 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6726 1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4398 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4398 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0346 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6294 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6294 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0346 0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6709 -0.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2859 -0.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0410 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7852 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8976 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8976 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8976 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4525 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4525 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0062 -0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2236 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8178 0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0062 0.1579 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
14 18 1 0 0 0 0
9 19 1 0 0 0 0
19 16 1 0 0 0 0
3 20 1 0 0 0 0
1 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
15 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIG1LNI0004
KNApSAcK_ID C00010068
NAME Lupinalbin F
CAS_RN 121747-93-1
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(c4CC=C(C)C)(cc(c3c4O)Oc(o2)c(C3=O)c(c21)ccc(O)c1CC=C(C)C)O
M END
